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GA0
GA0
表記:GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE
組成式:C20 H24 N4 O3
SMILES:O=C(Nc2cc1ccccc1cc2)C3N(C(=O)C(NC(=O)CN)C)CCC3
InChi:InChI=1S/C20H24N4O3/c1-13(22-18(25)12-21)20(27)24-10-4-7-17(24)19(26)23-16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,13,17H,4,7,10,12,21H2,1H3,(H,22,25)(H,23,26)/t13-,17-/m0/s1
別名:GLYCYL-ALANYL-PROLINE-BETA-NAPHTHYLAMIDE
定義日:2006-01-16
最終更新日:2020-06-17
識別子（ID）:glycyl-L-alanyl-N-naphthalen-2-yl-L-prolinamide
1GA
1GA
表記:Geraniline
組成式:C16 H21 N
SMILES:C2=C(CCC=C(CNc1ccc(cc1)C2)C)C
InChi:InChI=1S/C16H21N/c1-13-4-3-5-14(2)12-17-16-10-8-15(7-6-13)9-11-16/h5-6,8-11,17H,3-4,7,12H2,1-2H3/b13-6?,14-5+
別名:(4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene
定義日:2012-01-31
最終更新日:2020-06-17
識別子（ID）:(4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene
GA3
GA3
表記:GIBBERELLIN A3
組成式:C19 H22 O6
SMILES:O=C(O)C5C21CC(O)(C(=C)C1)CCC2C34OC(=O)C(C)(C(O)C=C3)C45
InChi:InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
別名:(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epo xymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
定義日:2008-09-04
最終更新日:2020-06-17
識別子（ID）:(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
PM0
PM0
表記:premithramycin B
組成式:C53 H72 O24
SMILES:O=C8c4c(cc3cc(OC2OC(C)C(O)C(OC1OC(C)C(O)C(O)C1)C2)c(c(O)c3c4O)C)CC9C8(OC7OC(C(O)C(OC6OC(C)C(O)C(OC5OC(C)C(O)C(O)(C)C5)C6)C7)C)C(=O)C(C(=O)C)=C(O)C9OC
InChi:InChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44+,45-,48+,49-,52+,53-/m1/s1
別名:(1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy} -2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D- arabino-hexopyranoside
定義日:2010-12-06
最終更新日:2020-06-17
公開日:2013-10-09
識別子（ID）:(1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranoside
PM2
PM2
表記:1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE
組成式:C26 H29 N3 O
SMILES:O=C(c1cc(cnc1)CCc2ccccc2)N4CCC(c3cccc(c3)CN)CC4
InChi:InChI=1S/C26H29N3O/c27-17-21-7-4-8-24(15-21)23-11-13-29(14-12-23)26(30)25-16-22(18-28-19-25)10-9-20-5-2-1-3-6-20/h1-8,15-16,18-19,23H,9-14,17,27H2
別名:[4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE
定義日:2005-03-09
最終更新日:2020-06-17
識別子（ID）:1-[3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine
GAB
GAB
表記:3-AMINOBENZOIC ACID
組成式:C7 H7 N O2
SMILES:O=C(O)c1cc(N)ccc1
InChi:InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
別名:GABACULINE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:3-aminobenzoic acid
PM6
PM6
表記:9H-purine-6-thiol
組成式:C5 H4 N4 S
SMILES:n2c1c(ncn1)c(nc2)S
InChi:InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
別名:6-Mercaptopurine
定義日:2007-12-01
最終更新日:2020-06-17
識別子（ID）:9H-purine-6-thiol
GAJ
GAJ
表記:N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-2 SULPHONAMIDE
組成式:C14 H9 N5 O4 S
SMILES:O=S(=O)(/N=C1/NN=NN1)c3cc2C(=O)c4c(Oc2cc3)cccc4
InChi:InChI=1S/C14H9N5O4S/c20-13-9-3-1-2-4-11(9)23-12-6-5-8(7-10(12)13)24(21,22)17-14-15-18-19-16-14/h1-7H,(H2,15,16,17,18,19)
別名:N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE
定義日:2005-10-24
最終更新日:2020-06-17
識別子（ID）:N-(1,4-dihydro-5H-tetrazol-5-ylidene)-9-oxo-9H-xanthene-2-sulfonamide
PME
PME
表記:N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER
組成式:C14 H18 N2 O5
SMILES:O=C(O)CC(N)C(=O)NC(C(=O)OC)Cc1ccccc1
InChi:InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
別名:ASPARTAME
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:methyl L-alpha-aspartyl-L-phenylalaninate
PMG
PMG
表記:N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-2-METHYL-L-GLUTAMIC ACID
組成式:C14 H21 N2 O9 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)CCC(=O)O
InChi:InChI=1S/C14H21N2O9P/c1-8-12(19)10(9(5-15-8)7-25-26(22,23)24)6-16-14(2,13(20)21)4-3-11(17)18/h5,16,19H,3-4,6-7H2,1-2H3,(H,17,18)(H,20,21)(H2,22,23,24)/t14-/m0/s1
別名:N-PYRIDOXYL-2-METHYL-L-GLUTAMIC ACID-5'-MONOPHOSPHATE
定義日:2005-04-25
最終更新日:2020-06-17
識別子（ID）:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-L-glutamic acid
PMO
PMO
表記:N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHOXYBENZIMIDAZOLE
組成式:C13 H17 N2 O8 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1cc(OC)ccc12)C(O)C3O
InChi:InChI=1S/C13H17N2O8P/c1-21-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(23-13)5-22-24(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1
別名:PHOSPORIC ACID MONO-[3,4-DIHYDROXY-5-(5-METHOXY-BENZOIMIDAZOL-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
定義日:2001-07-09
最終更新日:2020-06-17
識別子（ID）:5-methoxy-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole
PMX
PMX
表記:3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine
組成式:C14 H14 Cl N O6
SMILES:Clc1cc(ccc1O)CC(C(=O)O)NC(=O)C=CC(=O)OC
InChi:InChI=1S/C14H14ClNO6/c1-22-13(19)5-4-12(18)16-10(14(20)21)7-8-2-3-11(17)9(15)6-8/h2-6,10,17H,7H2,1H3,(H,16,18)(H,20,21)/b5-4+/t10-/m0/s1
別名:(+)-Xylariamide A
定義日:2010-11-02
最終更新日:2020-06-17
識別子（ID）:3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine
PMY
PMY
表記:AGLYCON OF PEPLOMYCIN
組成式:C48 H67 N17 O10 S2
SMILES:O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c4nc(C(=O)NCCCNC(c3ccccc3)C)cs4)C(O)C)C)C(O)c5ncnc5)C)CC(=O)N
InChi:InChI=1S/C48H67N17O10S2/c1-22-35(62-42(65-40(22)51)29(16-33(50)67)57-17-28(49)41(52)70)46(74)64-37(39(69)30-18-53-21-58-30)47(75)59-25(4)38(68)23(2)43(71)63-36(26(5)66)45(73)56-15-12-34-60-32(20-76-34)48-61-31(19-77-48)44(72)55-14-9-13-54-24(3)27-10-7-6-8-11-27/h6-8,10-11,18-21,23-26,28-29,36-39,54,57,66,68-69H,9,12-17,49H2,1-5H3,(H2,50,67)(H2,52,70)(H,53,58)(H,55,72)(H,56,73)(H,59,75)(H,63,71)(H,64,74)(H2,51,62,65)/t23-,24-,25+,26+,28-,29-,36-,37-,38-,39-/m0/s1
別名:AGLYCON OF (S)-N1-[3-[(1-PHENYLETHYL)AMINO]-PROPYL]BLEOMYCINAMIDE
定義日:1999-07-16
最終更新日:2020-06-17
識別子（ID）:2'-{(5S,8S,9S,10R,13S)-15-{6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}-9-hydroxy-5-[(1R)-1-hydroxyethyl]-13-[(R)-hydroxy(1H-imidazol-4-yl)methyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-N-(3-{[(1S)-1-phenylethyl]amino}propyl)-2,4'-bi-1,3-thiazole-4-carboxamide (non-preferred name)
PMZ
PMZ
表記:1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE
組成式:C19 H22 N2 O S
SMILES:O=C(c2cc1N(c3c(Sc1cc2)cccc3)CCCN(C)C)C
InChi:InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
別名:ACETYLPROMAZINE
定義日:2002-06-20
最終更新日:2020-06-17
識別子（ID）:1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone
GB5
GB5
表記:(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE
組成式:C9 H8 Cl N O2
SMILES:Clc1ccc(/C=C/C(=O)NO)cc1
InChi:InChI=1S/C9H8ClNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-3+
別名:4-CHLOROCINNAMYLHYDROXAMATE
定義日:2006-10-05
最終更新日:2020-06-17
識別子（ID）:(2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide
PN6
PN6
表記:(3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
組成式:C19 H20 N4 O2
SMILES:[C@H](c1ncnc1C(C)(C)C)=C2NC(=O)C(NC2=O)=[C@H]c3ccccc3
InChi:InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-
別名:Plinabulin
定義日:2015-08-28
最終更新日:2020-06-17
公開日:2015-11-04
識別子（ID）:(3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
GBN
GBN
表記:[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID
組成式:C9 H17 N O2
SMILES:O=C(O)CC1(CN)CCCCC1
InChi:InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
別名:GABAPENTIN
定義日:2005-05-19
最終更新日:2020-06-17
識別子（ID）:[1-(aminomethyl)cyclohexyl]acetic acid
PNP
PNP
表記:METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER
組成式:C7 H8 N O5 P
SMILES:O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)C
InChi:InChI=1S/C7H8NO5P/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,11,12)
別名:4-NITROPHENYL HYDROGEN METHYLPHOSPHONATE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:4-nitrophenyl hydrogen (R)-methylphosphonate
GC2
GC2
表記:6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE
組成式:C10 H18 N2 O4
SMILES:O=C(NC2C(O)C(O)C1N(CCC1O)C2)C
InChi:InChI=1S/C10H18N2O4/c1-5(13)11-6-4-12-3-2-7(14)8(12)10(16)9(6)15/h6-10,14-16H,2-4H2,1H3,(H,11,13)/t6-,7-,8+,9+,10+/m0/s1
別名:N-[(1S,6S,7R,8R,8AR)-1,7,8-TRIHYDROXYOCTAHYDROINDOLIZIN-6-YL]ACETAMIDE
定義日:2010-07-02
最終更新日:2020-06-17
識別子（ID）:N-[(1S,6S,7R,8R,8aR)-1,7,8-trihydroxyoctahydroindolizin-6-yl]acetamide
PNV
PNV
表記:(2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
組成式:C16 H18 N2 O5 S
SMILES:c1c(cccc1)OCC(NC2C(N3C2SC(C)(C)C3C(=O)O)=O)=O
InChi:InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
別名:PENICILLIN V
定義日:2005-11-14
最終更新日:2020-06-17
識別子（ID）:(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PNX
PNX
表記:3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
組成式:C13 H18 N4 O3
SMILES:O=C2N(c1ncn(c1C(=O)N2CCCCC(=O)C)C)C
InChi:InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
別名:PENTOXIFYLLINE
定義日:2005-06-28
最終更新日:2020-06-17
識別子（ID）:3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
1IN
1IN
表記:1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARB OXYLIC ACID TERT-BUTYLAMIDE
組成式:C35 H51 N5 O5
SMILES:O=C(NC1C(C)CCC1O)C(Cc2ccccc2)CC(O)CN4C(C(=O)NC(C)(C)C)CN(C(=O)CCc3cccnc3)CC4
InChi:InChI=1S/C35H51N5O5/c1-24-12-14-30(42)32(24)37-33(44)27(19-25-9-6-5-7-10-25)20-28(41)22-39-17-18-40(23-29(39)34(45)38-35(2,3)4)31(43)15-13-26-11-8-16-36-21-26/h5-11,16,21,24,27-30,32,41-42H,12-15,17-20,22-23H2,1-4H3,(H,37,44)(H,38,45)/t24-,27+,28-,29-,30+,32-/m0/s1
別名:L-738,317
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R,5S)-2-hydroxy-5-methylcyclopentyl]amino}-5-oxopentyl]-N-tert-butyl-4-(3-pyridin-3-ylpropanoyl)piperazine-2-carboxamide (non-preferred name)
1IS
1IS
表記:N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
組成式:C18 H17 N5 O S
SMILES:n1c5ccccc5sc1NC4CC(n2c3ncccc3nc2OC)C4
InChi:InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)/t11-,12-
別名:N-((1s,3s)-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl)benzo[d]thiazol-2-amine
定義日:2014-02-26
最終更新日:2020-06-17
公開日:2014-10-01
識別子（ID）:N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
GCH
GCH
表記:GLYCOCHOLIC ACID
組成式:C26 H43 N O6
SMILES:O=C(O)CNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C
InChi:InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
別名:N-CHOLYLGLYCINE
定義日:2000-03-09
最終更新日:2020-06-17
識別子（ID）:N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine
POD
POD
表記:9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6(5AH)-ONE
組成式:C22 H22 O8
SMILES:O=C4OCC5C(O)c2cc1OCOc1cc2C(c3cc(OC)c(OC)c(OC)c3)C45
InChi:InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
別名:PODOPHYLLOTOXIN
定義日:2004-03-04
最終更新日:2020-06-17
識別子（ID）:(5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one

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件を2025-07-09に公開中

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