 | | A7S | | Name: | 1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | | Formula: | C20 H23 F N2 O3 S | | SMILES: | c1(cc(F)c(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | | InChi: | InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-16(19)6-9-20(23)24)22-27(25,26)13-15-5-4-14(2)18(21)11-15/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3 | | Synonyms: | AMF1beta | | Definition date: | 2017-07-10 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-15 | | Identifier: | 1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
|
 | | 6LF | | Name: | 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol | | Formula: | C21 H19 Cl2 N5 O2 | | SMILES: | C[CH](Oc1ccc2[nH]nc(C=Cc3cnn(CCO)c3)c2c1)c4c(Cl)cncc4Cl | | InChi: | InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1 | | Synonyms: | LY2874455 | | Definition date: | 2016-05-01 | | Last modified: | 2020-06-17 | | Release date: | 2016-10-05 | | Identifier: | 2-[4-[(~{E})-2-[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol |
|
 | | A86 | | Name: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-
yl acetate | | Formula: | C42 H58 O6 | | SMILES: | CC(=C/C=C/C=C(/C=C/C=C(C)C(=O)CC12C(C)(CC(O)CC1(C)O2)C)C)[C@H]=C[C@H]=C([C@H]=C=C3C(C)(C)CC(CC3(O)C)OC(=O)C)C | | InChi: | InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,40+,41+,42-/m0/s1 | | Synonyms: | Fucoxanthin | | Definition date: | 2018-10-17 | | Last modified: | 2020-06-17 | | Release date: | 2019-02-06 | | Identifier: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate |
|
 | | A8B | | Name: | N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE | | Formula: | C30 H36 N4 | | SMILES: | n2c1c(cccc1)c(cc2)NCCCCCCCCNc3c5c(nc4c3CCCC4)cccc5 | | InChi: | InChI=1S/C30H36N4/c1(3-11-20-31-27-19-22-32-26-16-8-5-13-23(26)27)2-4-12-21-33-30-24-14-6-9-17-28(24)34-29-18-10-7-15-25(29)30/h5-6,8-9,13-14,16-17,19,22H,1-4,7,10-12,15,18,20-21H2,(H,31,32)(H,33,34) | | Synonyms: | TACRINE(8)-4-AMINOQUINOLINE | | Definition date: | 2003-02-15 | | Last modified: | 2020-06-17 | | Identifier: | N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine |
|
 | | A8W | | Name: | Pregnenolone sulfate | | Formula: | C21 H32 O5 S | | SMILES: | CC(=O)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)O[S](O)(=O)=O | | InChi: | InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1 | | Synonyms: | pregn-5-en-3beta-ol-20-one-3beta-sulfate | | Definition date: | 2017-08-17 | | Last modified: | 2020-06-17 | | Release date: | 2017-10-11 | | Identifier: | [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate |
|
 | | A8X | | Name: | 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid | | Formula: | C21 H21 F N2 O4 S | | SMILES: | OC(=O)CCn1c2CC[CH](Cc2c3ccccc13)N[S](=O)(=O)c4ccc(F)cc4 | | InChi: | InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1 | | Synonyms: | Ramatroban | | Definition date: | 2018-10-23 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-19 | | Identifier: | 3-[(3~{R})-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid |
|
 | | A90 | | Name: | 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid | | Formula: | C16 H16 Cl N O4 S | | SMILES: | OC(=O)Cc1ccc(CCN[S](=O)(=O)c2ccc(Cl)cc2)cc1 | | InChi: | InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20) | | Synonyms: | Daltroban | | Definition date: | 2018-10-23 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-19 | | Identifier: | 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid |
|
 | | 6MK | | Name: | (2E)-4-[N'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid | | Formula: | C17 H15 N3 O4 | | SMILES: | O=C(c1c(ccnc1)Cc2ccccc2)NNC(=O)C=CC(=O)O | | InChi: | InChI=1S/C17H15N3O4/c21-15(6-7-16(22)23)19-20-17(24)14-11-18-9-8-13(14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21)(H,20,24)(H,22,23)/b7-6+ | | Synonyms: | SHF-3 | | Definition date: | 2014-04-09 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-01 | | Identifier: | (2E)-4-{2-[(4-benzylpyridin-3-yl)carbonyl]hydrazinyl}-4-oxobut-2-enoic acid |
|
 | | A95 | | Name: | N-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)furan-2-carboxamide | | Formula: | C25 H26 N2 O5 | | SMILES: | COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O)c4occc4)cc3 | | InChi: | InChI=1S/C25H26N2O5/c1-30-21-10-6-19(7-11-21)25(12-15-31-16-13-25)17-26-23(28)18-4-8-20(9-5-18)27-24(29)22-3-2-14-32-22/h2-11,14H,12-13,15-17H2,1H3,(H,26,28)(H,27,29) | | Synonyms: | JW55 Inhibitor | | Definition date: | 2015-08-24 | | Last modified: | 2020-06-17 | | Release date: | 2016-01-13 | | Identifier: | N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide |
|
 | | 6MS | | Name: | [6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)hexyl]phosphonic acid | | Formula: | C11 H18 N5 O4 P | | SMILES: | C(CCCCCP(O)(=O)O)n2c1N=C(NC(=O)c1nc2)N | | InChi: | InChI=1S/C11H18N5O4P/c12-11-14-9-8(10(17)15-11)13-7-16(9)5-3-1-2-4-6-21(18,19)20/h7H,1-6H2,(H2,18,19,20)(H3,12,14,15,17) | | Synonyms: | 9-[7-(phosphonoheptyl]guanine | | Definition date: | 2016-05-09 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-09 | | Identifier: | [6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)hexyl]phosphonic acid |
|
 | | AAB | | Name: | 2'-DEOXY-RIBOFURANOSE-5'-MONOPHOSPHATE | | Formula: | C5 H11 O7 P | | SMILES: | O=P(OCC1OC(O)CC1O)(O)O | | InChi: | InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1 | | Synonyms: | ABASIC DEOXYRIBOSE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranose |
|
 | | AAD | | Name: | (2-AMINOOXY-ETHYL)-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL]-METHYL-SULFONIUM | | Formula: | C13 H21 N6 O4 S | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C[S+](CCON)C)N | | InChi: | InChI=1S/C13H21N6O4S/c1-24(3-2-22-15)4-7-9(20)10(21)13(23-7)19-6-18-8-11(14)16-5-17-12(8)19/h5-7,9-10,13,20-21H,2-4,15H2,1H3,(H2,14,16,17)/q+1/t7-,9+,10+,13+,24?/m0/s1 | | Synonyms: | 5'-[[2-(AMINOOXY)ETHYL]METHYLSULFONIO]-5'-DEOXY-ADENOSINE | | Definition date: | 2002-07-09 | | Last modified: | 2020-06-17 | | Identifier: | [2-(aminooxy)ethyl]{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}methylsulfonium (non-preferred name) |
|
 | | 6O5 | | Name: | 3-(furan-2-yl)propanoic acid | | Formula: | C7 H8 O3 | | SMILES: | c1c(occ1)CCC(O)=O | | InChi: | InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9) | | Synonyms: | MB605 | | Definition date: | 2015-07-21 | | Last modified: | 2020-06-17 | | Release date: | 2015-08-12 | | Identifier: | 3-(furan-2-yl)propanoic acid |
|
 | | 6O7 | | Name: | Plicamycin, mithramycin analogue MTM SA-Phe | | Formula: | C59 H81 N O24 | | SMILES: | C1(Cc8c(C(=O)C1OC2OC(C)C(C(C2)OC3OC(C)C(O)C(C3)OC4OC(C)C(O)C(O)(C4)C)O)c(c7c(c(C)c(OC5OC(C)C(O)C(C5)OC6CC(C(C(O6)C)O)O)cc7c8)O)O)C(OC)C(NC(C(OC)=O)Cc9ccccc9)=O | | InChi: | InChI=1S/C59H81NO24/c1-24-36(80-41-20-37(49(64)26(3)76-41)81-40-19-35(61)48(63)25(2)75-40)18-32-16-31-17-33(55(73-8)57(70)60-34(58(71)74-9)15-30-13-11-10-12-14-30)54(53(68)46(31)52(67)45(32)47(24)62)84-43-22-38(50(65)28(5)78-43)82-42-21-39(51(66)27(4)77-42)83-44-23-59(7,72)56(69)29(6)79-44/h10-14,16,18,25-29,33-35,37-44,48-51,54-56,61-67,69,72H,15,17,19-23H2,1-9H3,(H,60,70)/t25-,26-,27-,28-,29-,33-,34+,35-,37-,38-,39-,40+,41+,42+,43+,44+,48-,49-,50-,51+,54+,55+,56-,59+/m1/s1 | | Synonyms: | methyl
(2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-p
yran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4
R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-y
l]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-phenylpropanoate (non-preferred name) | | Definition date: | 2016-05-12 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-14 | | Identifier: | methyl (2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-phenylpropanoate (non-preferred name) |
|
 | | AB8 | | Name: | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3
,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE | | Formula: | C34 H48 N2 O7 | | SMILES: | O=C(OC1C4C(=CC(C)C1)C=CC(C4CCC2OC(=O)N(C(C2)CC(=O)NC)Cc3ccc(O)c(OC)c3)C)C(C)CC | | InChi: | InChI=1S/C34H48N2O7/c1-7-21(3)33(39)43-30-15-20(2)14-24-10-8-22(4)27(32(24)30)12-11-26-17-25(18-31(38)35-5)36(34(40)42-26)19-23-9-13-28(37)29(16-23)41-6/h8-10,13-14,16,20-22,25-27,30,32,37H,7,11-12,15,17-19H2,1-6H3,(H,35,38)/t20-,21-,22-,25+,26+,27-,30-,32-/m0/s1 | | Synonyms: | LFA878 | | Definition date: | 2004-09-07 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3R,7S,8S,8aR)-8-(2-{(4R,6R)-3-(4-hydroxy-3-methoxybenzyl)-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl}ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate |
|
 | | HHG | | Name: | (2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATE | | Formula: | C9 H19 O7 P | | SMILES: | O=P(O)(O)OCC(O)COC(=O)CCCCC | | InChi: | InChI=1S/C9H19O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h8,10H,2-7H2,1H3,(H2,12,13,14)/t8-/m0/s1 | | Synonyms: | 1-MONOHEXANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE | | Definition date: | 2005-01-05 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-hydroxy-3-(phosphonooxy)propyl hexanoate |
|
 | | 6OX | | Name: | 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl]
phenyl]imidazol-4-yl]propan-2-ol | | Formula: | C29 H28 Cl2 F2 N2 O4 S | | SMILES: | CC(C)(O)c1cn(c2ccc(cc2F)c3cc(F)c(CO)c(c3)[S](C)(=O)=O)c(n1)C(C)(C)c4c(Cl)cccc4Cl | | InChi: | InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3 | | Synonyms: | BMS-852927 | | Definition date: | 2016-05-17 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-02 | | Identifier: | 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl]phenyl]imidazol-4-yl]propan-2-ol |
|
 | | 6PC | | Name: | PYRIDINE-2-CARBOXYLIC ACID | | Formula: | C6 H5 N O2 | | SMILES: | O=C(O)c1ncccc1 | | InChi: | InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) | | Synonyms: | PICOLINIC ACID | | Definition date: | 2006-05-23 | | Last modified: | 2020-06-17 | | Identifier: | pyridine-2-carboxylic acid |
|
 | | 6PL | | Name: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE | | Formula: | C42 H85 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/p+1/t40-/m1/s1 | | Synonyms: | 1-PALMITOYL-2-STEAROYL-SN-GLYCERO-3-PHOSPHOCHOLINE | | Definition date: | 2006-05-24 | | Last modified: | 2020-06-17 | | Identifier: | (4S,7R)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide |
|
 | | HI6 | | Name: | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM | | Formula: | C14 H16 N4 O3 | | SMILES: | O=C(N)c1cc[n+](cc1)COC[n+]2ccccc2C=NO | | InChi: | InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2 | | Synonyms: | 1-(2-HYDROXY-IMINOMETHYLPYRIDINIUM)-1-(4-CARBOXYAMINO)-PYRIDINIUM DIMETHYLETHER | | Definition date: | 2006-05-15 | | Last modified: | 2020-06-17 | | Identifier: | 4-carbamoyl-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium |
|
 | | 6PR | | Name: | (S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACID | | Formula: | C6 H11 N2 O7 P | | SMILES: | O=C(NC(C(=O)N)CC(=O)O)CP(=O)(O)O | | InChi: | InChI=1S/C6H11N2O7P/c7-6(12)3(1-5(10)11)8-4(9)2-16(13,14)15/h3H,1-2H2,(H2,7,12)(H,8,9)(H,10,11)(H2,13,14,15)/t3-/m0/s1 | | Synonyms: | (PHOSPHONOACETYL)-L-ALPHA-ASPARAGINE | | Definition date: | 2006-05-26 | | Last modified: | 2020-06-17 | | Identifier: | N~2~-(phosphonoacetyl)-L-alpha-asparagine |
|
 | | 6Q1 | | Name: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te
traazacyclotetradecin-8(3H)-one | | Formula: | C26 H35 N7 O | | SMILES: | c1cc(ccc1CN2CCN(C)CC2)c3cn4c5c3cnc(NCCCCC(NCCC4)=O)n5 | | InChi: | InChI=1S/C26H35N7O/c1-31-13-15-32(16-14-31)18-20-6-8-21(9-7-20)23-19-33-12-4-11-27-24(34)5-2-3-10-28-26-29-17-22(23)25(33)30-26/h6-9,17,19H,2-5,10-16,18H2,1H3,(H,27,34)(H,28,29,30) | | Synonyms: | UNC2434 | | Definition date: | 2016-05-19 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-11 | | Identifier: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]tetraazacyclotetradecin-8(3H)-one |
|
 | | HIU | | Name: | (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID | | Formula: | C4 H8 O3 | | SMILES: | O=C(O)C(C)CO | | InChi: | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 | | Synonyms: | 3-HYDROXYISOBUTYRATE | | Definition date: | 2005-03-29 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-hydroxy-2-methylpropanoic acid |
|
 | | 6QF | | Name: | phenazin-1-ol | | Formula: | C12 H8 N2 O | | SMILES: | Oc1cccc2nc3ccccc3nc12 | | InChi: | InChI=1S/C12H8N2O/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-7,15H | | Synonyms: | 1-hydroxyphenazine | | Definition date: | 2016-05-23 | | Last modified: | 2020-06-17 | | Release date: | 2016-12-07 | | Identifier: | phenazin-1-ol |
|
 | | HJ7 | | Name: | (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid | | Formula: | C7 H6 O7 | | SMILES: | C(C=C(CC(O)=O)C(O)=O)(=O)C(O)=O | | InChi: | InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)(H,13,14)/b3-1- | | Synonyms: | (3Z)-2-keto-4-carboxy-3-hexenedioate | | Definition date: | 2018-07-03 | | Last modified: | 2020-06-17 | | Release date: | 2018-09-26 | | Identifier: | (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid |
|
