 | | XDL | | 表記: | XYLOSE-DERIVED ISOFAGOMINE LACTAM | | 組成式: | C5 H9 N O2 | | SMILES: | O=C1NCCCC1O | | InChi: | InChI=1S/C5H9NO2/c7-4-2-1-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1 | | 別名: | (3S)-3-HYDROXYPIPERIDIN-2-ONE | | 定義日: | 2003-02-14 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (3S)-3-hydroxypiperidin-2-one |
|
 | | ZXU | | 表記: | N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl
)prop-2-enoyl]-L-tyrosinamide | | 組成式: | C36 H32 N2 O12 | | SMILES: | N(C(C(=O)NCCCOC=1C(=O)c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)Cc4ccc(cc4)O)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O | | InChi: | InChI=1S/C36H32N2O12/c39-22-7-2-19(3-8-22)14-24(38-31(46)11-5-20-4-9-25(41)27(43)15-20)36(48)37-12-1-13-49-35-33(47)32-29(45)17-23(40)18-30(32)50-34(35)21-6-10-26(42)28(44)16-21/h2-11,15-18,24,39-45H,1,12-14H2,(H,37,48)(H,38,46)/b11-5+/t24-/m0/s1 | | 別名: | synthetic Montbretin A analogue | | 定義日: | 2019-03-22 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-02-12 | | 識別子（ID）: | N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-tyrosinamide |
|
 | | T4F | | 表記: | (2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta
nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid | | 組成式: | C25 H46 N4 O5 S | | SMILES: | CC1(C)[CH]2CC[C]1(C)[CH](C2)NC(=O)[CH](CC3CCCCC3)N[S](=O)(=O)N[CH](CCCCN)C(O)=O | | InChi: | InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1 | | 別名: | tafCPB | | 定義日: | 2016-09-28 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-10-26 | | 識別子（ID）: | (2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid |
|
 | | O59 | | 表記: | octane-1,8-diyl disulfamate | | 組成式: | C8 H20 N2 O6 S2 | | SMILES: | O=S(=O)(OCCCCCCCCOS(=O)(=O)N)N | | InChi: | InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14) | | 別名: | 1,8-Octanediol disulfamate | | 定義日: | 2009-07-20 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | octane-1,8-diyl disulfamate |
|
 | | NC7 | | 表記: | 7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID | | 組成式: | C14 H26 N2 O3 | | SMILES: | O=C(NC1CCCCC1)NCCCCCCC(=O)O | | InChi: | InChI=1S/C14H26N2O3/c17-13(18)10-6-1-2-7-11-15-14(19)16-12-8-4-3-5-9-12/h12H,1-11H2,(H,17,18)(H2,15,16,19) | | 別名: | 4-(3-CYCLOHEXYLURIEDO)-HEPTANOIC ACID | | 定義日: | 2005-04-21 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 7-[(cyclohexylcarbamoyl)amino]heptanoic acid |
|
 | | LBN | | 表記: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine | | 組成式: | C42 H82 N O8 P | | SMILES: | C(C(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)(C)C)([O-])=O | | InChi: | InChI=1S/C42H82NO8P/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/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1 | | 別名: | (2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | | 定義日: | 2013-02-14 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-01-08 | | 識別子（ID）: | (2R)-3-(hexadecanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate |
|
 | | XV6 | | 表記: | [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D
IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE] | | 組成式: | C41 H38 N6 O5 S2 | | SMILES: | O=C(c1cccc(c1)CN5C(=O)N(Cc3cc(C(=O)Nc2nccs2)ccc3)C(Cc4ccccc4)C(O)C(O)C5Cc6ccccc6)Nc7nccs7 | | InChi: | InChI=1S/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,42,44,50)(H,43,45,51)/t33-,34-,35+,36+/m1/s1 | | 別名: | XV638 | | 定義日: | 1999-10-04 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-1,3-thiazol-2-ylbenzamide) |
|
 | | P13 | | 表記: | N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE | | 組成式: | C24 H33 N5 O | | SMILES: | O(c3ccc(c2cc1ccnc1cc2)cc3CNCCN4CCNCC4)CCCN | | InChi: | InChI=1S/C24H33N5O/c25-7-1-15-30-24-5-3-20(19-2-4-23-21(16-19)6-8-28-23)17-22(24)18-27-11-14-29-12-9-26-10-13-29/h2-6,8,16-17,26-28H,1,7,9-15,18,25H2 | | 別名: | RBT550 INHIBITOR | | 定義日: | 2003-12-10 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-[4-(1H-indol-5-yl)-2-{[(2-piperazin-1-ylethyl)amino]methyl}phenoxy]propan-1-amine |
|
 | | MJA | | 表記: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid | | 組成式: | C19 H30 O5 | | SMILES: | O=C(O)CC(O)CC(O)CCC2C(C=CC1=CC(CC(O)C12)C)C | | InChi: | InChI=1S/C19H30O5/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24)/t11-,12-,14+,15+,16-,17-,19-/m0/s1 | | 別名: | Monacolin J acid | | 定義日: | 2009-06-18 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid |
|
 | | MJV | | 表記: | N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide | | 組成式: | C21 H22 Cl F N4 O2 | | SMILES: | c4c3NC(=O)N(C1CCN(CC1)CCNC(=O)c2ccc(cc2)F)c3ccc4Cl | | InChi: | InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29) | | 別名: | Halopemide | | 定義日: | 2019-04-08 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-02-19 | | 識別子（ID）: | N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide |
|
 | | P1D | | 表記: | ((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO
L-2-YL)METHYLPHOSPHONIC ACID | | 組成式: | C13 H16 N3 O8 P | | SMILES: | O=C1NC=Nc2c1ncc2C3OC(C4OC(OC34)CP(=O)(O)O)CO | | InChi: | InChI=1S/C13H16N3O8P/c17-2-6-11-12(24-7(23-11)3-25(19,20)21)10(22-6)5-1-14-9-8(5)15-4-16-13(9)18/h1,4,6-7,10-12,14,17H,2-3H2,(H,15,16,18)(H2,19,20,21)/t6-,7-,10+,11-,12+/m1/s1 | | 別名: | 9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE | | 定義日: | 2005-08-04 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1S)-1,4-anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-O-[(1S)-2-phosphonoethylidene]-D-ribitol |
|
 | | NCN | | 表記: | NICOTINATE MONONUCLEOTIDE | | 組成式: | C11 H14 N O9 P | | SMILES: | [O-]P(=O)(O)OCC2OC([n+]1cc(ccc1)C(=O)O)C(O)C2O | | InChi: | InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/t7-,8-,9-,10-/m1/s1 | | 別名: | NAMN | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-carboxy-1-[5-O-(hydroxyphosphinato)-beta-D-ribofuranosyl]pyridinium |
|
 | | S98 | | 表記: | 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | 組成式: | C14 H12 N6 O S | | SMILES: | O=C1c2cc3nc(nc3cc2N=C(N)N1)NCc4sccc4 | | InChi: | InChI=1S/C14H12N6OS/c15-13-17-9-5-11-10(4-8(9)12(21)20-13)18-14(19-11)16-6-7-2-1-3-22-7/h1-5H,6H2,(H2,16,18,19)(H3,15,17,20,21) | | 別名: | 1-(2-thienyl)methyl-2-amino-lin-Benzogunaine | | 定義日: | 2008-01-31 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
|
 | | LCR | | 表記: | (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid | | 組成式: | C21 H25 Cl N2 O3 | | SMILES: | O=C(O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 | | InChi: | InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1 | | 別名: | R-levocetirizine | | 定義日: | 2015-09-16 | | 最終更新日: | 2020-06-17 | | 公開日: | 2015-12-23 | | 識別子（ID）: | (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid |
|
 | | O7B | | 表記: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one | | 組成式: | C19 H24 N2 O | | SMILES: | O=C1N(C[CH]2CCCc3cccc1c23)[CH]4CN5CCC4CC5 | | InChi: | InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1 | | 別名: | Palonosetron | | 定義日: | 2020-02-17 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-03-04 | | 識別子（ID）: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one |
|
 | | SA8 | | 表記: | S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE | | 組成式: | C15 H23 N7 O5 | | SMILES: | O=C(O)C(N)CCN(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1 | | 別名: | 5'-[N-[(3S)-3-AMINO-3-CARBOXYPROPYL]-N-METHYLAMINO]-5'-DEOXYADENOSINE | | 定義日: | 2005-03-16 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 5'-{[(3S)-3-amino-3-carboxypropyl](methyl)amino}-5'-deoxyadenosine |
|
 | | NRH | | 表記: | Norharmane | | 組成式: | C11 H8 N2 | | SMILES: | n3ccc2c1c(cccc1)nc2c3 | | InChi: | InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H | | 別名: | 9H-beta-carboline | | 定義日: | 2013-04-25 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-05-22 | | 識別子（ID）: | 9H-beta-carboline |
|
 | | PGW | | 表記: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl
(9Z)-octadec-9-enoate | | 組成式: | C40 H77 O10 P | | SMILES: | O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1 | | 別名: | 1-Palmitoyl-2-Oleoyl-sn-Glycero-3-[Phospho-(1-glycerol)] | | 定義日: | 2007-11-02 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate |
|
 | | RGT | | 表記: | 2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl
5-O-phosphono-beta-D-ribofuranoside | | 組成式: | C15 H25 N5 O21 P4 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c(nc(nc12)N)OC3OC(C(O)C3O)COP(=O)(O)O)C(O)C4O | | InChi: | InChI=1S/C15H25N5O21P4/c16-15-18-11-6(12(19-15)39-14-10(24)8(22)5(38-14)1-35-42(25,26)27)17-3-20(11)13-9(23)7(21)4(37-13)2-36-44(31,32)41-45(33,34)40-43(28,29)30/h3-5,7-10,13-14,21-24H,1-2H2,(H,31,32)(H,33,34)(H2,16,18,19)(H2,25,26,27)(H2,28,29,30)/t4-,5-,7-,8-,9-,10-,13-,14+/m1/s1 | | 別名: | (Ribose-5'-phosphate)-(guanosine-5'-triphosphate) | | 定義日: | 2008-07-31 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside |
|
 | | ON3 | | 表記: | 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan
ecarboxylic acid | | 組成式: | C31 H34 O7 | | SMILES: | c1(cc(c(c(c1)OC)C)OC)C(C(COc2ccc(cc2)C3(C(O)=O)CC3)OC4Cc5c(C4)cccc5)O | | InChi: | InChI=1S/C31H34O7/c1-19-26(35-2)16-22(17-27(19)36-3)29(32)28(38-25-14-20-6-4-5-7-21(20)15-25)18-37-24-10-8-23(9-11-24)31(12-13-31)30(33)34/h4-11,16-17,25,28-29,32H,12-15,18H2,1-3H3,(H,33,34)/t28-,29+/m0/s1 | | 別名: | ONO-3080573 | | 定義日: | 2015-03-31 | | 最終更新日: | 2020-06-17 | | 公開日: | 2015-06-03 | | 識別子（ID）: | 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid |
|
 | | TIC | | 表記: | ticlopidine | | 組成式: | C14 H14 Cl N S | | SMILES: | Clc1ccccc1CN3CCc2sccc2C3 | | InChi: | InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | | 別名: | 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine | | 定義日: | 2010-01-22 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine |
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 | | O6P | | 表記: | Doripenem | | 組成式: | C15 H24 N4 O6 S2 | | SMILES: | C2(C(SC1CC(CNS(N)(=O)=O)NC1)=C(C(O)=O)N3C2C(C3=O)C(C)O)C | | InChi: | InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1 | | 別名: | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-aza
bicyclo[3.2.0]hept-2-ene-2-carboxylic acid | | 定義日: | 2019-06-12 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-08-07 | | 識別子（ID）: | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
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 | | KKN | | 表記: | 3-methyl-2H-furo[2,3-c]pyran-2-one | | 組成式: | C8 H6 O3 | | SMILES: | O=C2OC1=COC=CC1=C2C | | InChi: | InChI=1S/C8H6O3/c1-5-6-2-3-10-4-7(6)11-8(5)9/h2-4H,1H3 | | 別名: | Karrikin KAR1 | | 定義日: | 2013-04-08 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-05-08 | | 識別子（ID）: | 3-methyl-2H-furo[2,3-c]pyran-2-one |
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 | | S9T | | 表記: | (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | | 組成式: | C20 H25 N O4 | | SMILES: | COc1ccc(C[CH]2NCCc3cc(OC)c(OC)cc23)cc1OC | | InChi: | InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3/t16-/m0/s1 | | 別名: | S-Tetrahydropapaverine | | 定義日: | 2016-07-11 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-09-07 | | 識別子（ID）: | (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
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 | | MKT | | 表記: | 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one | | 組成式: | C23 H24 O6 | | SMILES: | CC(C)=[C@H]Cc1c(O)cc2Oc3c(C(c2c1O)=O)c(c(c(c3)O)O)C[C@H]=C(C)C | | InChi: | InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3 | | 別名: | Gamma-mangostin | | 定義日: | 2015-03-02 | | 最終更新日: | 2020-06-17 | | 公開日: | 2015-09-09 | | 識別子（ID）: | 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one |
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