 | | RPT | | Name: | RIFAPENTINE | | Formula: | C47 H64 N4 O12 | | SMILES: | O=C5c6c3c(O)c(C=NN2CCN(C1CCCC1)CC2)c4c(O)c3c(O)c(c6OC5(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)N4)C)C)C)C)C | | InChi: | InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1 | | Synonyms: | (2R,16S,17R,18R,19R,20S,21S,22S,23S)-8-{[(4-CYCLOPENTYLPIPERAZIN-1-YL)IMINO]METHYL}-5,6,9,17,19-PENTAHYDROXY-23-METHOXY
-2,4,12,16,18,20,22-HEPTAMETHYL-1,11-DIOXO-1,2-DIHYDRO-2,7-(EPOXYPENTADECA[1,11,13]TRIENOIMINO)NAPHTHO[2,1-B]FURAN-21-YL ACETATE | | Definition date: | 2005-07-27 | | Last modified: | 2020-06-17 | | Identifier: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-{(E)-[(4-cyclopentylpiperazin-1-yl)imino]methyl}-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate |
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 | | BL4 | | Name: | (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | | Formula: | C18 H16 N2 O2 | | SMILES: | O=C2c4c(cccc4N=C3N(c1ccccc1)CCC23O)C | | InChi: | InChI=1S/C18H16N2O2/c1-12-6-5-9-14-15(12)16(21)18(22)10-11-20(17(18)19-14)13-7-3-2-4-8-13/h2-9,22H,10-11H2,1H3/t18-/m1/s1 | | Synonyms: | S-3a-hydroxy-5-methyl-1-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinolin-4-one | | Definition date: | 2008-01-19 | | Last modified: | 2020-06-17 | | Identifier: | (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
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 | | BM1 | | Name: | (R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE | | Formula: | C17 H15 N O S | | SMILES: | O=C2c1c(cccc1)C3(SCCN23)c4cccc(c4)C | | InChi: | InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3/t17-/m1/s1 | | Synonyms: | BM+21.1326 | | Definition date: | 1999-07-20 | | Last modified: | 2020-06-17 | | Identifier: | (9bR)-9b-(3-methylphenyl)-2,3-dihydro[1,3]thiazolo[2,3-a]isoindol-5(9bH)-one |
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 | | BPL | | Name: | 1-BENZO[A]PYREN-6-YL-3-METHYL-UREA | | Formula: | C22 H16 N2 O | | SMILES: | O=C(NC)Nc4c5c(c1ccc3c2c1c4ccc2ccc3)cccc5 | | InChi: | InChI=1S/C22H16N2O/c1-23-22(25)24-21-17-8-3-2-7-15(17)16-11-9-13-5-4-6-14-10-12-18(21)20(16)19(13)14/h2-12H,1H3,(H2,23,24,25) | | Synonyms: | 6-[3-METHYLUREAYL]-BENZO[A]PYRENE | | Definition date: | 2000-03-20 | | Last modified: | 2020-06-17 | | Identifier: | 1-benzo[pqr]tetraphen-6-yl-3-methylurea |
|
 | | CT8 | | Name: | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE | | Formula: | C17 H14 Br N6 | | SMILES: | Brc4cccc(c1nc3ncn[n+]3c(c1)NCc2ccncc2)c4 | | InChi: | InChI=1S/C17H13BrN6/c18-14-3-1-2-13(8-14)15-9-16(24-17(23-15)21-11-22-24)20-10-12-4-6-19-7-5-12/h1-9,11H,10H2,(H,20,21,22,23)/p+1 | | Synonyms: | TRIAZOLOPYRIMIDINE | | Definition date: | 2005-11-08 | | Last modified: | 2020-06-17 | | Identifier: | 5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium |
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 | | CXX | | Name: | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | | Formula: | C19 H23 Cl N2 | | SMILES: | Clc1ccc3c(c1)N(c2ccccc2CC3)CCCN(C)C | | InChi: | InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 | | Synonyms: | 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine | | Definition date: | 2007-06-07 | | Last modified: | 2020-06-17 | | Identifier: | 3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine |
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 | | SK8 | | Name: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole | | Formula: | C16 H12 F N3 S | | SMILES: | Fc4ccc(c1nc3SCCn3c1c2ccncc2)cc4 | | InChi: | InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2 | | Synonyms: | SKF-86002 | | Definition date: | 2013-07-30 | | Last modified: | 2020-06-17 | | Release date: | 2014-02-12 | | Identifier: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole |
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 | | D01 | | Name: | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | | Formula: | C20 H17 Cl N4 O4 S2 | | SMILES: | Clc1cc2cc(nc2cc1)S(=O)(=O)N5CCN(C(=O)c4sc3ccc[n+]([O-])c3c4)CC5 | | InChi: | InChI=1S/C20H17ClN4O4S2/c21-14-3-4-15-13(10-14)11-19(22-15)31(28,29)24-8-6-23(7-9-24)20(26)18-12-16-17(30-18)2-1-5-25(16)27/h1-5,10-12,22H,6-9H2 | | Synonyms: | 2-[[4-[(5-CHLOROINDOL-2-YL)SULFONYL]PIPERAZIN-1-YL] CARBONYL]THIENO[3,2-B]PYRIDINE N-OXIDE | | Definition date: | 2005-08-26 | | Last modified: | 2020-06-17 | | Identifier: | 2-({4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl}carbonyl)thieno[3,2-b]pyridine 4-oxide |
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 | | SLX | | Name: | (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol | | Formula: | C19 H21 N O4 | | SMILES: | Oc1c4c(ccc1OC)CC3c2c(cc(OC)c(O)c2)CCN3C4 | | InChi: | InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1 | | Synonyms: | (S)-scoulerine | | Definition date: | 2009-01-20 | | Last modified: | 2020-06-17 | | Identifier: | (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol |
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 | | SM4 | | Name: | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID | | Formula: | C16 H16 B N O5 S | | SMILES: | O=C(NC(B(O)O)c1cccc(C=CC(=O)O)c1)Cc2sccc2 | | InChi: | InChI=1S/C16H16BNO5S/c19-14(10-13-5-2-8-24-13)18-16(17(22)23)12-4-1-3-11(9-12)6-7-15(20)21/h1-9,16,22-23H,10H2,(H,18,19)(H,20,21)/b7-6+/t16-/m0/s1 | | Synonyms: | (2E)-3-(3-{(R)-(DIHYDROXYBORYL)[(2-THIENYLACETYL)AMINO]METHYL}PHENYL)ACRYLIC ACID | | Definition date: | 2006-09-06 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-3-(3-{(R)-(dihydroxyboranyl)[(thiophen-2-ylacetyl)amino]methyl}phenyl)prop-2-enoic acid |
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 | | 8QP | | Name: | [(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid | | Formula: | C17 H21 N O3 | | SMILES: | c1(CC)c3c(ccc1)c2CCOC(CC(=O)O)(CC)c2n3 | | InChi: | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m0/s1 | | Synonyms: | (S)-Etodolac | | Definition date: | 2017-03-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-03-15 | | Identifier: | [(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid |
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 | | 8QS | | Name: | [(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid | | Formula: | C17 H21 N O3 | | SMILES: | C1COC(CC(O)=O)(CC)c2nc3c(c12)cccc3CC | | InChi: | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m1/s1 | | Synonyms: | (R)-Etodolac | | Definition date: | 2017-03-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-03-15 | | Identifier: | [(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid |
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 | | SUE | | Name: | (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di
oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec
ino[11,12-b]quinoxaline-8-carboxamide | | Formula: | C38 H50 N6 O9 S | | SMILES: | O=S(=O)(NC(=O)C6(NC(=O)C1N2C(=O)C(NC(=O)OC5C(CCCCCc3nc4c(nc3OC(C1)C2)cc(OC)cc4)C5)C(C)(C)C)CC6/C=C)C7CC7 | | InChi: | InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1 | | Synonyms: | Grazoprevir, MK-5172 | | Definition date: | 2011-08-04 | | Last modified: | 2020-06-17 | | Release date: | 2012-09-14 | | Identifier: | (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide |
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 | | SX7 | | Name: | 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide | | Formula: | C21 H22 N6 O | | SMILES: | O=C(N(C)C)c4cc(c1cc2c(nc1)ncc2c3ccnn3CC)ccc4N | | InChi: | InChI=1S/C21H22N6O/c1-4-27-19(7-8-25-27)17-12-24-20-15(17)10-14(11-23-20)13-5-6-18(22)16(9-13)21(28)26(2)3/h5-12H,4,22H2,1-3H3,(H,23,24) | | Synonyms: | 2-Amino-5-[3-(2-ethyl-2H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-benzamide | | Definition date: | 2008-06-25 | | Last modified: | 2020-06-17 | | Identifier: | 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide |
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 | | 92M | | Name: | 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin
-6(7H)-one | | Formula: | C25 H34 N6 O3 | | SMILES: | O=C4N(c1c(nc(nc1)Nc3ccc(N2CCC(O)CC2)cc3OC)N(CC4)C5CCCC5)C | | InChi: | InChI=1S/C25H34N6O3/c1-29-21-16-26-25(28-24(21)31(14-11-23(29)33)17-5-3-4-6-17)27-20-8-7-18(15-22(20)34-2)30-12-9-19(32)10-13-30/h7-8,15-17,19,32H,3-6,9-14H2,1-2H3,(H,26,27,28) | | Synonyms: | 9-cyclopentyl-2-{[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]amino}-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4
]diazepin-6-one | | Definition date: | 2009-05-05 | | Last modified: | 2020-06-17 | | Identifier: | 9-cyclopentyl-2-{[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]amino}-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-one |
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 | | ALH | | Name: | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE | | Formula: | C16 H17 N3 O | | SMILES: | n1c3c(ncc1)c(c(c2ccc(O)cc2)n3)CCCC | | InChi: | InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19) | | Synonyms: | ALOISINE A | | Definition date: | 2003-09-09 | | Last modified: | 2020-06-17 | | Identifier: | 4-(7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol |
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 | | TG1 | | Name: | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z),
9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OX
Y]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER | | Formula: | C34 H50 O12 | | SMILES: | O=C3OC2C1=C(C(OC(=O)C(=C/C)C)C(OC(=O)CCCCCCC)C1C(OC(=O)C)(CC(OC(=O)CCC)C2(O)C3(O)C)C)C | | InChi: | InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1 | | Synonyms: | THAPSIGARGIN | | Definition date: | 2002-05-30 | | Last modified: | 2020-06-17 | | Identifier: | (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate |
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 | | TL2 | | Name: | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | | Formula: | C20 H22 N4 O4 | | SMILES: | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3 | | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17+,18+/m0/s1 | | Synonyms: | 2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL | | Definition date: | 2004-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,4:3,6-dianhydro-5-O-(3-carbamimidoylphenyl)-2-O-(4-carbamimidoylphenyl)-D-glucitol |
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 | | TL3 | | Name: | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | | Formula: | C20 H22 N4 O4 | | SMILES: | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2ccc(C(=[N@H])N)cc2)C4OC3 | | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-1-5-13(6-2-11)27-15-9-25-18-16(10-26-17(15)18)28-14-7-3-12(4-8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1 | | Synonyms: | 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | | Definition date: | 2004-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,4:3,6-dianhydro-2,5-bis-O-(4-carbamimidoylphenyl)-D-glucitol |
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 | | TL4 | | Name: | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | | Formula: | C20 H22 N4 O4 | | SMILES: | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3 | | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1 | | Synonyms: | 2-O-(3'-AMIDINOPHENYL)-5-O-(4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | | Definition date: | 2004-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,4:3,6-dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol |
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 | | TLC | | Name: | 2-O,3-ETHDIYL-ARABINOFURANOSYL-THYMINE-5'-MONOPHOSPHATE | | Formula: | C12 H17 N2 O9 P | | SMILES: | O=C1C(=CN(C(=O)N1)C3OC(C2(O)CCOC23)COP(=O)(O)O)C | | InChi: | InChI=1S/C12H17N2O9P/c1-6-4-14(11(16)13-9(6)15)10-8-12(17,2-3-21-8)7(23-10)5-22-24(18,19)20/h4,7-8,10,17H,2-3,5H2,1H3,(H,13,15,16)(H2,18,19,20)/t7-,8-,10-,12-/m1/s1 | | Synonyms: | [3.3.0]BICYCLO-ARABINO-THYMINE-5'-PHOSPHATE | | Definition date: | 2000-02-25 | | Last modified: | 2020-06-17 | | Identifier: | [(3aR,4R,6R,6aS)-3a-hydroxy-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)hexahydrofuro[3,4-b]furan-4-yl]methyl dihydrogen phosphate |
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 | | 9AZ | | Name: | (2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid | | Formula: | C20 H19 N3 O5 | | SMILES: | O=C(O)C(O)(C=4C=C3c2nc1cccc(N)c1cc2CN3C(=O)C=4CO)CC | | InChi: | InChI=1S/C20H19N3O5/c1-2-20(28,19(26)27)13-7-16-17-10(8-23(16)18(25)12(13)9-24)6-11-14(21)4-3-5-15(11)22-17/h3-7,24,28H,2,8-9,21H2,1H3,(H,26,27)/t20-/m0/s1 | | Synonyms: | 9 Amino camptothecin, open form | | Definition date: | 2013-07-03 | | Last modified: | 2020-06-17 | | Release date: | 2013-07-24 | | Identifier: | (2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid |
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 | | 9F3 | | Name: | (2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane
]-3',4',7-triol | | Formula: | C12 H20 O10 | | SMILES: | OC[CH]1O[C]2(CO[C]3(CO)O[CH](CO)[CH](O)[CH]3O2)[CH](O)[CH]1O | | InChi: | InChI=1S/C12H20O10/c13-1-5-7(16)9(18)12(21-5)4-19-11(3-15)10(22-12)8(17)6(2-14)20-11/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1 | | Synonyms: | Beta-2,1'-alpha-2',3-Difructofuranose anhydride | | Definition date: | 2018-04-04 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-19 | | Identifier: | (2~{R},3'~{S},4'~{S},4~{a}~{R},5'~{R},6~{R},7~{R},7~{a}~{S})-4~{a},5',6-tris(hydroxymethyl)spiro[3,6,7,7~{a}-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane]-3',4',7-triol |
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 | | DZN | | Name: | DAIDZIN | | Formula: | C21 H20 O9 | | SMILES: | O=C3c4ccc(OC1OC(C(O)C(O)C1O)CO)cc4OC=C3c2ccc(O)cc2 | | InChi: | InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1 | | Synonyms: | 4',7-DIHYDROXYISOFLAVONE | | Definition date: | 2003-04-08 | | Last modified: | 2020-06-17 | | Identifier: | 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside |
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 | | EFG | | Name: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one | | Formula: | C12 H13 F N5 O7 P | | SMILES: | O=P(O)(O)OCC4OC(n1cnc3c1n2ccnc2NC3=O)C(F)C4O | | InChi: | InChI=1S/C12H13FN5O7P/c13-6-8(19)5(3-24-26(21,22)23)25-11(6)18-4-15-7-9(20)16-12-14-1-2-17(12)10(7)18/h1-2,4-6,8,11,19H,3H2,(H,14,16,20)(H2,21,22,23)/t5-,6+,8-,11-/m1/s1 | | Synonyms: | 2'-F-N2,3-etheno-2'-deoxyarabinoguanosine | | Definition date: | 2012-01-04 | | Last modified: | 2020-06-17 | | Identifier: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one |
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