 | | VPC | | Name: | Phthalocyanine containing GA | | Formula: | C32 H16 Ga N8 | | SMILES: | [Ga]1N2C3=NC4=NC(=Nc5n1c(N=C6N=C(N=C2c7ccccc37)c8ccccc68)c9ccccc59)c%10ccccc4%10 | | InChi: | InChI=1S/C32H16N8.Ga/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25 | | Synonyms: | Gallium(III)-phthalocyanine | | Definition date: | 2017-05-17 | | Last modified: | 2020-06-17 | | Release date: | 2017-12-06 |
|
 | | JEY | | Name: | N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide | | Formula: | C19 H20 N2 O2 | | SMILES: | C(c3c1cc(OC)ccc1nc3c2ccccc2)CNC(=O)C | | InChi: | InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22) | | Synonyms: | 2-phenylmelatonin | | Definition date: | 2018-09-06 | | Last modified: | 2020-06-17 | | Release date: | 2019-04-24 | | Identifier: | N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide |
|
 | | U20 | | Name: | uridine-5'-diphosphate-3-O-(R-3-hydroxymyristoyl)-N-acetyl-D-glucosamine | | Formula: | C31 H53 N3 O19 P2 | | SMILES: | O=P(OC1OC(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | | InChi: | InChI=1S/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2)36)30(50-20(16-35)26(28)41)52-55(46,47)53-54(44,45)48-17-21-25(40)27(42)29(49-21)34-14-13-22(38)33-31(34)43/h13-14,19-21,24-30,35,37,40-42H,3-12,15-17H2,1-2H3,(H,32,36)(H,44,45)(H,46,47)(H,33,38,43)/t19-,20-,21-,24-,25-,26-,27-,28-,29-,30-/m1/s1 | | Synonyms: | (2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydrox
ytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-
pyran-4-yl (3R)-3-hydroxytetradecanoate | | Definition date: | 2007-07-30 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate (non-preferred name) |
|
 | | U21 | | Name: | uridine-5'-diphosphate-3-O-(R-3-hydroxydecanoyl)-N-acetyl-D-glucosamine | | Formula: | C27 H45 N3 O19 P2 | | SMILES: | O=P(OC1OC(C(O)C(OC(=O)CC(O)CCCCCCC)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | | InChi: | InChI=1S/C27H45N3O19P2/c1-3-4-5-6-7-8-15(33)11-19(35)47-24-20(28-14(2)32)26(46-16(12-31)22(24)37)48-51(42,43)49-50(40,41)44-13-17-21(36)23(38)25(45-17)30-10-9-18(34)29-27(30)39/h9-10,15-17,20-26,31,33,36-38H,3-8,11-13H2,1-2H3,(H,28,32)(H,40,41)(H,42,43)(H,29,34,39)/t15-,16-,17-,20-,21-,22-,23-,24-,25-,26-/m1/s1 | | Synonyms: | (2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydrox
ytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-
pyran-4-yl (3R)-3-hydroxydecanoate | | Definition date: | 2007-07-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxydecanoate (non-preferred name) |
|
 | | L34 | | Name: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI
C ACID | | Formula: | C20 H21 N7 O7 | | SMILES: | O=C(O)C(NC(=O)c4ccc(N3C(=O)N2c1c(nc(nc1O)N)NCC2C3)cc4)CCC(=O)O | | InChi: | InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1 | | Synonyms: | LY345899 | | Definition date: | 1999-12-15 | | Last modified: | 2020-06-17 | | Identifier: | N-({4-[(6aR)-3-amino-1-hydroxy-9-oxo-5,6,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid |
|
 | | U22 | | Name: | uridine-5'-diphosphate-3-N-(R-3-hydroxylauroyl)-N-acetyl-D-glucosamine | | Formula: | C29 H50 N4 O18 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(NC(=O)CC(O)CCCCCCCCC)C3NC(=O)C)CO)O)O | | InChi: | InChI=1S/C29H50N4O18P2/c1-3-4-5-6-7-8-9-10-17(36)13-21(38)31-22-23(30-16(2)35)28(49-18(14-34)24(22)39)50-53(45,46)51-52(43,44)47-15-19-25(40)26(41)27(48-19)33-12-11-20(37)32-29(33)42/h11-12,17-19,22-28,34,36,39-41H,3-10,13-15H2,1-2H3,(H,30,35)(H,31,38)(H,43,44)(H,45,46)(H,32,37,42)/t17-,18-,19-,22-,23-,24-,25-,26-,27-,28-/m1/s1 | | Synonyms: | (2R,3R,4R,5S,6R)-3-(acetylamino)-5-hydroxy-4-{[(3R)-3-hydroxydodecanoyl]amino}-6-(hydroxymethyl)tetrahydro-2H-pyran-2-y
l [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen
diphosphate | | Definition date: | 2009-07-30 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5S,6R)-3-(acetylamino)-5-hydroxy-4-{[(3R)-3-hydroxydodecanoyl]amino}-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
|
 | | NIA | | Name: | ((2R,3S,4R,5R)-5-(5-AMINO-4-NITRO-1H-IMIDAZOL-1-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE | | Formula: | C8 H13 N4 O9 P | | SMILES: | [O-][N+](=O)c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C8H13N4O9P/c9-6-7(12(15)16)10-2-11(6)8-5(14)4(13)3(21-8)1-20-22(17,18)19/h2-5,8,13-14H,1,9H2,(H2,17,18,19)/t3-,4-,5-,8-/m1/s1 | | Synonyms: | 4-NITRO-5-AMINOIMIDAZOLE RIBONUCLEOTIDE | | Definition date: | 2005-09-07 | | Last modified: | 2020-06-17 | | Identifier: | 4-nitro-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-amine |
|
 | | MAR | | Name: | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | | Formula: | C33 H39 N O13 | | SMILES: | O=C2c1c(O)c6c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC6OC5OC(C(OC4OC(C(O)C(O)C4)C)C(N)C5)C | | InChi: | InChI=1S/C33H39NO13/c1-12-27(37)18(36)9-22(44-12)47-32-13(2)45-21(8-17(32)34)46-20-11-33(42,14(3)35)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40/h5-7,12-13,17-18,20-22,27,32,36-37,39,41-42H,8-11,34H2,1-4H3/t12-,13-,17-,18-,20-,21-,22-,27-,32+,33-/m0/s1 | | Synonyms: | MAR70 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-arabino-hexopyranosyl)-alpha-L-lyxo-hexopyranoside |
|
 | | NIH | | Name: | 2-{[3,5-BIS(TRIFLUOROMETHYL)BENZYL]AMINO}-N-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXAMIDE | | Formula: | C14 H10 F6 N4 O3 | | SMILES: | FC(F)(F)c1cc(cc(c1)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO | | InChi: | InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25) | | Synonyms: | AZ12194344 | | Definition date: | 2005-10-17 | | Last modified: | 2020-06-17 | | Release date: | 2013-11-13 | | Identifier: | 2-{[3,5-bis(trifluoromethyl)benzyl]amino}-N-hydroxy-6-oxo-1,6-dihydropyrimidine-5-carboxamide |
|
 | | S06 | | Name: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | | Formula: | C18 H21 N O6 | | SMILES: | O1C(C(O)C(O)C(O)C14ONC(c3cc2ccccc2cc3)C4)CO | | InChi: | InChI=1S/C18H21NO6/c20-9-14-15(21)16(22)17(23)18(24-14)8-13(19-25-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-17,19-23H,8-9H2/t13-,14+,15+,16-,17+,18+/m0/s1 | | Synonyms: | (1R)-3'-(2-naphthyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | | Definition date: | 2007-09-04 | | Last modified: | 2020-06-17 | | Identifier: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-naphthalen-2-yl-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol |
|
 | | SU2 | | Name: | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE | | Formula: | C20 H21 N3 O2 | | SMILES: | O=C2Nc1ccccc1C2Cc3ccc(cc3)N4CCN(C=O)CC4 | | InChi: | InChI=1S/C20H21N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,14,18H,9-13H2,(H,21,25) | | Synonyms: | SU4984 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-(4-{[(3R)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)piperazine-1-carbaldehyde |
|
 | | MAX | | Name: | MATAIRESINOL | | Formula: | C20 H22 O6 | | SMILES: | O=C2OCC(Cc1cc(OC)c(O)cc1)C2Cc3ccc(O)c(OC)c3 | | InChi: | InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1 | | Synonyms: | ARTIGENIN CONGENER | | Definition date: | 2004-12-23 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4R)-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one |
|
 | | MAY | | Name: | METHYL ARACHIDONYL FLUOROPHOSPHONATE | | Formula: | C21 H36 F O2 P | | SMILES: | FP(=O)(OC)CCCCC=C/CC=C/CC=C/CC=C/CCCCC | | InChi: | InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t25-/m0/s1 | | Synonyms: | MAFP | | Definition date: | 2002-10-01 | | Last modified: | 2020-06-17 | | Identifier: | methyl (S)-(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ylphosphonofluoridate |
|
 | | SU4 | | Name: | N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide | | Formula: | C18 H21 N O4 S | | SMILES: | O=S(=O)(N(CC(O)(c1ccccc1)C)C2CC2)c3ccc(O)cc3 | | InChi: | InChI=1S/C18H21NO4S/c1-18(21,14-5-3-2-4-6-14)13-19(15-7-8-15)24(22,23)17-11-9-16(20)10-12-17/h2-6,9-12,15,20-21H,7-8,13H2,1H3/t18-/m0/s1 | | Synonyms: | HYDROXYBENZENESULFONAMIDE | | Definition date: | 2011-06-06 | | Last modified: | 2020-06-17 | | Identifier: | N-cyclopropyl-4-hydroxy-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide |
|
 | | JUG | | Name: | 5-hydroxynaphthalene-1,4-dione | | Formula: | C10 H6 O3 | | SMILES: | O=C2c1c(c(O)ccc1)C(=O)C=C2 | | InChi: | InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H | | Synonyms: | Juglone | | Definition date: | 2007-11-01 | | Last modified: | 2020-06-17 | | Identifier: | 5-hydroxynaphthalene-1,4-dione |
|
 | | VPX | | Name: | ethyl
[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur
an-6-yl]carbamate | | Formula: | C29 H33 F N2 O4 | | SMILES: | Fc1cccc(c1)c2ccc(nc2)C=CC4C3C(CC(NC(=O)OCC)CC3)CC5C(=O)OC(C45)C | | InChi: | InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1 | | Synonyms: | vorapaxar | | Definition date: | 2012-08-23 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-07 | | Identifier: | ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate |
|
 | | SU6 | | Name: | 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid | | Formula: | C18 H18 N2 O3 | | SMILES: | O=C(O)CCc1c(c(nc1C)/C=C3/c2ccccc2NC3=O)C | | InChi: | InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9- | | Synonyms: | SU6668 | | Definition date: | 2013-04-02 | | Last modified: | 2020-06-17 | | Release date: | 2013-06-19 | | Identifier: | 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid |
|
 | | U2G | | Name: | URIDYLYL-2'-5'-PHOSPHO-GUANOSINE | | Formula: | C19 H24 N7 O13 P | | SMILES: | O=C1C=CN(C(=O)N1)C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O | | InChi: | InChI=1S/C19H24N7O13P/c20-18-23-14-9(15(32)24-18)21-5-26(14)16-12(31)10(29)7(38-16)4-36-40(34,35)39-13-11(30)6(3-27)37-17(13)25-2-1-8(28)22-19(25)33/h1-2,5-7,10-13,16-17,27,29-31H,3-4H2,(H,34,35)(H,22,28,33)(H3,20,23,24,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1 | | Synonyms: | PHOSPHORIC ACID-2'-[2'-DEOXY-URIDINE]ESTER-5'-GUANOSINE ESTER | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (S)-phosphate (non-preferred name) |
|
 | | JFN | | Name: | (2R)-1-methoxypropan-2-amine | | Formula: | C4 H11 N O | | SMILES: | COCC(C)N | | InChi: | InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m1/s1 | | Synonyms: | jeffamine | | Definition date: | 2018-08-17 | | Last modified: | 2020-06-17 | | Release date: | 2018-10-17 | | Identifier: | (2R)-1-methoxypropan-2-amine |
|
 | | Y28 | | Name: | O-benzyl-N-(carboxycarbonyl)-D-tyrosine | | Formula: | C18 H17 N O6 | | SMILES: | O=C(O)C(=O)NC(C(=O)O)Cc2ccc(OCc1ccccc1)cc2 | | InChi: | InChI=1S/C18H17NO6/c20-16(18(23)24)19-15(17(21)22)10-12-6-8-14(9-7-12)25-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,20)(H,21,22)(H,23,24)/t15-/m1/s1 | | Synonyms: | (2R)-2-(carboxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid | | Definition date: | 2009-10-23 | | Last modified: | 2020-06-17 | | Identifier: | O-benzyl-N-(carboxycarbonyl)-D-tyrosine |
|
 | | U2P | | Name: | PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL]
ESTER | | Formula: | C9 H13 N2 O9 P | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2OP(=O)(O)O)CO | | InChi: | InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | URIDINE-2'-PHOSPHATE | | Definition date: | 2003-02-26 | | Last modified: | 2020-06-17 | | Identifier: | 2'-uridylic acid |
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 | | NIW | | Name: | 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate | | Formula: | C21 H24 N2 O7 | | SMILES: | O=C(c1c(c(c(nc1C)C)C(OC(C)C)=O)c2cc([N+]([O-])=O)ccc2)OCCOC | | InChi: | InChI=1S/C21H24N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12H,9-10H2,1-5H3 | | Synonyms: | Nimodipine M (dehydro) | | Definition date: | 2017-12-12 | | Last modified: | 2020-06-17 | | Release date: | 2019-03-13 | | Identifier: | 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate |
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 | | Z22 | | Name: | S-methyl methanesulfonothioate | | Formula: | C2 H6 O2 S2 | | SMILES: | CS[S](C)(=O)=O | | InChi: | InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3 | | Synonyms: | S-Methyl methanethiosulfonate | | Definition date: | 2009-11-18 | | Last modified: | 2020-06-17 | | Identifier: | methylsulfanylsulfonylmethane |
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 | | JUV | | Name: | (2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid | | Formula: | C18 H16 O6 | | SMILES: | c2cc([C@H]=[C@H]C(=O)OC(C(O)=O)Cc1ccc(cc1)O)ccc2O | | InChi: | InChI=1S/C18H16O6/c19-14-6-1-12(2-7-14)5-10-17(21)24-16(18(22)23)11-13-3-8-15(20)9-4-13/h1-10,16,19-20H,11H2,(H,22,23)/b10-5+/t16-/m1/s1 | | Synonyms: | 4-coumaroyl-(R)-3-(4-hydroxyphenyl)lactate | | Definition date: | 2018-09-25 | | Last modified: | 2020-06-17 | | Release date: | 2019-09-11 | | Identifier: | (2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid |
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 | | N4P | | Name: | N,N-bis(3-aminopropyl)butane-1,4-diamine | | Formula: | C10 H26 N4 | | SMILES: | NCCCCN(CCCN)CCCN | | InChi: | InChI=1S/C10H26N4/c11-5-1-2-8-14(9-3-6-12)10-4-7-13/h1-13H2 | | Synonyms: | N4-aminopropylspermidine | | Definition date: | 2016-02-26 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-15 | | Identifier: | ~{N}',~{N}'-bis(3-azanylpropyl)butane-1,4-diamine |
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