 | | DFV | | Name: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE | | Formula: | C15 H12 O4 | | SMILES: | O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3 | | InChi: | InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1 | | Synonyms: | 5-DEOXYFLAVANONE | | Definition date: | 2000-08-29 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one |
|
 | | DGB | | Name: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide | | Formula: | C24 H29 N3 O2 | | SMILES: | O=C(/C=C/c1cccnc1)NCCCCC2CCN(CC2)C(=O)c3ccccc3 | | InChi: | InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+ | | Synonyms: | FK-866 | | Definition date: | 2006-03-09 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide |
|
 | | XSP | | Name: | (2R)-3-oxo-2-(phosphonooxy)propanoic acid | | Formula: | C3 H5 O7 P | | SMILES: | O=P(OC(C=O)C(=O)O)(O)O | | InChi: | InChI=1S/C3H5O7P/c4-1-2(3(5)6)10-11(7,8)9/h1-2H,(H,5,6)(H2,7,8,9)/t2-/m1/s1 | | Synonyms: | D-tartronate semialdehyde 2-phosphate | | Definition date: | 2012-07-30 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-3-oxo-2-(phosphonooxy)propanoic acid |
|
 | | DGJ | | Name: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol | | Formula: | C6 H13 N O4 | | SMILES: | OC1C(NCC(O)C1O)CO | | InChi: | InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1 | | Synonyms: | 1-deoxygalactonojirimycin | | Definition date: | 2011-07-01 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol |
|
 | | DGQ | | Name: | (S)-2-(3-((S)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid | | Formula: | C15 H31 B10 N3 O8 | | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]58%14[BH]%11%15%16[BH]%12%17%18[BH]9%13%19[BH]16%10[BH]2%17%19[CH]3%15%18[BH]47%14%16)C(O)=O)C(O)=O | | InChi: | InChI=1S/C15H31B10N3O8/c29-9(30)5-4-8(11(33)34)28-13(36)27-7(10(31)32)3-1-2-6-26-12(35)15-14-16(15)18(14)19(14)17(14,15)21(15)20(15,16)22(16,18)24(18,19)23(17,19,21)25(20,21,22)24/h7-8,14,16-25H,1-6H2,(H,26,35)(H,29,30)(H,31,32)(H,33,34)(H2,27,28,36)/t7-,8-/m0/s1 | | Synonyms: | DCCBL | | Definition date: | 2014-04-08 | | Last modified: | 2021-03-01 | | Release date: | 2015-02-18 |
|
 | | XT1 | | Name: | (2R)-3-[(2S,5R,6R,8S)-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid | | Formula: | C45 H70 O13 | | SMILES: | O=C(O)C(O)(C)CC7OC1(OC(CC(=C1)C)C(/C=C/C6OC2(OC3C(O)C(=C)C(OC3CC2)C(O)CC(C)C5OC4(OCCCC4C)CCC5C)CC6)C)C(O)CC7 | | InChi: | InChI=1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+/t26-,27-,28+,29-,31+,32+,33+,34-,35+,36-,37-,38+,39+,40-,42-,43-,44-,45-/m1/s1 | | Synonyms: | DINOPHYSISTOXIN-1 | | Definition date: | 2009-10-22 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-3-[(2S,5R,6R,8S)-8-{(2R,3E)-4-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid |
|
 | | XTC | | Name: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide | | Formula: | C21 H21 N3 O9 | | SMILES: | [O-][N+](=O)c2c(O)c3C(=O)C1=C(O)C4(O)C(=O)C(=C(O)C(N(C)C)C4CC1Cc3cc2)C(=O)N | | InChi: | InChI=1S/C21H21N3O9/c1-23(2)14-9-6-8-5-7-3-4-10(24(32)33)15(25)11(7)16(26)12(8)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-4,8-9,14,25,27-28,31H,5-6H2,1-2H3,(H2,22,30)/t8-,9-,14-,21-/m0/s1 | | Synonyms: | 9-NITROTETRACYCLINE | | Definition date: | 2012-05-22 | | Last modified: | 2021-03-01 | | Identifier: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
|
 | | DH7 | | Name: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene | | Formula: | C30 H46 | | SMILES: | C(=C(C)CCC=C(/C)CCC=C(/C)C)=CC=C=C(/C)CC/C=C(C)CCC=C(/C)C | | InChi: | InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-16,23-24H,11-14,19-22H2,1-8H3/b29-23+,30-24+ | | Synonyms: | dehydrosqualene | | Definition date: | 2010-07-07 | | Last modified: | 2021-03-01 | | Identifier: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene |
|
 | | XTG | | Name: | 4-NITROPHENYL 6-THIO-6-S-ALPHA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE | | Formula: | C17 H23 N O11 S | | SMILES: | [O-][N+](=O)c3ccc(OC2OC(CSC1OCC(O)C(O)C1O)C(O)C(O)C2O)cc3 | | InChi: | InChI=1S/C17H23NO11S/c19-9-5-27-17(15(24)11(9)20)30-6-10-12(21)13(22)14(23)16(29-10)28-8-3-1-7(2-4-8)18(25)26/h1-4,9-17,19-24H,5-6H2/t9-,10-,11+,12-,13+,14-,15-,16-,17-/m1/s1 | | Synonyms: | 4-NITROPHENYL-(6-S-ALPHA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE | | Definition date: | 2005-11-17 | | Last modified: | 2021-03-01 | | Identifier: | 4-nitrophenyl 6-thio-6-S-alpha-D-xylopyranosyl-beta-D-glucopyranoside |
|
 | | XUG | | Name: | 2'-SE-METHYL-2'-SELENOGUANOSINE 5'-(DIHYDROGEN PHOSPHATE) | | Formula: | C11 H16 N5 O7 P Se | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3[Se]C)COP(=O)(O)O | | InChi: | InChI=1S/C11H16N5O7PSe/c1-25-7-6(17)4(2-22-24(19,20)21)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1 | | Synonyms: | (D)-2'-METHYLSELENYL-2'-DEOXYGUANOSINE-5'-PHOSPHATE | | Definition date: | 2006-05-18 | | Last modified: | 2021-03-01 | | Identifier: | 2'-Se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate) |
|
 | | DIR | | Name: | 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINE | | Formula: | C4 H10 N4 O3 | | SMILES: | O=C(O)C(N)CNC(=NO)N | | InChi: | InChI=1S/C4H10N4O3/c5-2(3(9)10)1-7-4(6)8-11/h2,11H,1,5H2,(H,9,10)(H3,6,7,8)/t2-/m0/s1 | | Synonyms: | DINOR-N(OMEGA)-HYDROXY-L-ARGININE | | Definition date: | 2004-05-20 | | Last modified: | 2021-03-01 | | Identifier: | 3-(N''-hydroxycarbamimidamido)-L-alanine |
|
 | | DIZ | | Name: | (4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID | | Formula: | C23 H15 Cl2 I N2 O4 | | SMILES: | Clc1ccc(cc1)C(C(=O)O)N3C(=O)c4cc(I)ccc4NC(=O)C3c2ccc(Cl)cc2 | | InChi: | InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1 | | Synonyms: | DI-CHLORO-BENZO-DIAZEPINE | | Definition date: | 2004-05-10 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-(4-chlorophenyl)[(3S)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl]ethanoic acid |
|
 | | DJO | | Name: | (phenylmethyl) (2S)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate | | Formula: | C17 H17 N O3 | | SMILES: | OC[CH]1Cc2ccccc2N1C(=O)OCc3ccccc3 | | InChi: | InChI=1S/C17H17NO3/c19-11-15-10-14-8-4-5-9-16(14)18(15)17(20)21-12-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2/t15-/m0/s1 | | Synonyms: | Benzyl 2-(Hydroxymethyl)-1-Indolinecarboxylate | | Definition date: | 2019-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-25 | | Identifier: | (phenylmethyl) (2~{S})-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate |
|
 | | DJU | | Name: | N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine | | Formula: | C18 H20 N2 O | | SMILES: | CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 | | InChi: | InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3 | | Synonyms: | 5-Benzyloxygramine | | Definition date: | 2019-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-25 | | Identifier: | ~{N},~{N}-dimethyl-1-(5-phenylmethoxy-1~{H}-indol-3-yl)methanamine |
|
 | | DJX | | Name: | N-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine | | Formula: | C19 H23 N7 S | | SMILES: | CCN1CCN(CC1)c2cc(Nc3sc(cn3)c4ccncc4)nc(C)n2 | | InChi: | InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24) | | Synonyms: | 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(5-(pyridin-4-yl)thiazol-2-yl)pyrimidin-4-amine | | Definition date: | 2019-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2019-11-27 | | Identifier: | ~{N}-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine |
|
 | | XX6 | | Name: | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL | | Formula: | C20 H23 N O4 | | SMILES: | OCC(NCC(O)COc2cc3c(c1c2cccc1)cccc3)CO | | InChi: | InChI=1S/C20H23NO4/c22-11-15(12-23)21-10-16(24)13-25-20-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)20/h1-9,15-16,21-24H,10-13H2/t16-/m1/s1 | | Synonyms: | (R)-DIHYDROXY-PHENANTHRENOLOL | | Definition date: | 2007-06-19 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(2R)-2-hydroxy-3-(phenanthren-9-yloxy)propyl]amino}propane-1,3-diol |
|
 | | DKW | | Name: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide | | Formula: | C13 H14 N6 O4 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCC#C | | InChi: | InChI=1S/C13H14N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h1,4-5,7-9,13,20-21H,3H2,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1 | | Synonyms: | 6-CARBOXYMETHYLURACIL | | Definition date: | 2018-01-23 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-06 | | Identifier: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide |
|
 | | DL5 | | Name: | Spiro(2,4,6-trinitrobenzene[1,2a]-O2',O3'-methylene-adenosine (beta,gamma-methylene)triphosphate | | Formula: | C17 H19 N8 O18 P3 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH]4O[C]5(O[CH]34)C(=C[C](C=C5[N+]([O-])=O)=[N+](O)[O-])[N+]([O-])=O | | InChi: | InChI=1S/C17H19N8O18P3/c18-14-11-15(20-4-19-14)22(5-21-11)16-13-12(8(40-16)3-39-46(37,38)43-45(35,36)6-44(32,33)34)41-17(42-13)9(24(28)29)1-7(23(26)27)2-10(17)25(30)31/h1-2,4-5,8,12-13,16H,3,6H2,(H,26,27)(H,35,36)(H,37,38)(H2,18,19,20)(H2,32,33,34)/t8-,12-,13-,16-/m1/s1 | | Synonyms: | TNP-AMPPCP | | Definition date: | 2015-06-03 | | Last modified: | 2021-03-01 | | Release date: | 2016-04-13 | | Identifier: | (3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-3',5'-dinitro-N-oxidanyl-6-[[oxidanyl-[oxidanyl(phosphonomethyl)phosphoryl]oxy-phosphoryl]oxymethyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-imine oxide |
|
 | | XXT | | Name: | [(3aS,5R,5aS,6S,8S,8aS,9S,9aR)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate | | Formula: | C19 H26 O7 | | SMILES: | C[CH]1C[CH]2OC(=O)C(=C)[CH]2[CH](OC(C)=O)[C]3(C)[CH](O)C[CH](OC(C)=O)[CH]13 | | InChi: | InChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(25-11(4)21)19(5)14(22)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12+,13+,14+,15-,16-,17+,19-/m1/s1 | | Synonyms: | Britannin | | Definition date: | 2016-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2017-06-28 | | Identifier: | [(3~{a}~{S},5~{R},5~{a}~{S},6~{S},8~{S},8~{a}~{S},9~{S},9~{a}~{R})-9-acetyloxy-5,8~{a}-dimethyl-1-methylidene-8-oxidanyl-2-oxidanylidene-4,5,5~{a},6,7,8,9,9~{a}-octahydro-3~{a}~{H}-azuleno[6,5-b]furan-6-yl] ethanoate |
|
 | | DLM | | Name: | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium | | Formula: | C15 H11 O7 | | SMILES: | Oc1cc(cc(O)c1O)c3[o+]c2cc(O)cc(O)c2cc3O | | InChi: | InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1 | | Synonyms: | Delphinidin | | Definition date: | 2014-10-15 | | Last modified: | 2021-03-01 | | Release date: | 2015-01-21 | | Identifier: | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium |
|
 | | DLP | | Name: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | | Formula: | C44 H80 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCC=C/CC=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCC=C/CC=C/CCCCC | | InChi: | InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1 | | Synonyms: | DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE | | Definition date: | 2002-05-13 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate |
|
 | | DLU | | Name: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide | | Formula: | C20 H19 F2 N3 O5 | | SMILES: | Fc1ccc(c(F)c1)CNC(=O)C4=CN3C(C(=O)N2C(CCOC2C3)C)=C(O)C4=O | | InChi: | InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1 | | Synonyms: | Dolutegravir | | Definition date: | 2011-05-23 | | Last modified: | 2021-03-01 | | Identifier: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide |
|
 | | XYA | | Name: | 2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | | Formula: | C10 H13 N5 O4 | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N | | InChi: | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6+,7-,10-/m1/s1 | | Synonyms: | 9-BETA-D-XYLOFURANOSYL-ADENINE | | Definition date: | 2003-06-23 | | Last modified: | 2021-03-01 | | Identifier: | 9-beta-D-xylofuranosyl-9H-purin-6-amine |
|
 | | XYB | | Name: | 4-O-beta-D-xylopyranosyl-beta-D-xylopyranose | | Formula: | C10 H18 O9 | | SMILES: | O(C1COC(O)C(O)C1O)C2OCC(O)C(O)C2O | | InChi: | InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1 | | Synonyms: | xylobiose | | Definition date: | 2012-05-29 | | Last modified: | 2021-03-01 | | Release date: | 2016-08-31 | | Identifier: | 4-O-beta-D-xylopyranosyl-beta-D-xylopyranose |
|
 | | DM2 | | Name: | DOXORUBICIN | | Formula: | C27 H29 N O11 | | SMILES: | O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC5OC4OC(C(O)C(N)C4)C | | InChi: | InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 | | Synonyms: | ADRIAMYCIN | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside |
|
