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CRE
CRE
表記:GERMACRENE A
組成式:C15 H24
SMILES:C1(=CCCC(=CCC(C(=C)C)CC1)C)C
InChi:InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/t15-/m1/s1
別名:8-ISOPROPENYL-1,5-DIMETHYL-CYCLODECA-1,5-DIENE
定義日:2000-06-08
最終更新日:2021-03-13
識別子（ID）:(1Z,5E,8R)-1,5-dimethyl-8-(1-methylethenyl)cyclodeca-1,5-diene
VSD
VSD
表記:3-Dehydrosphinganine
組成式:C18 H37 N O2
SMILES:C(C(C(N)CO)=O)CCCCCCCCCCCCCC
InChi:InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1
別名:(2S,6E)-2-amino-1-hydroxyoctadec-6-en-3-one
定義日:2020-09-11
最終更新日:2021-03-13
公開日:2021-02-24
識別子（ID）:(2S)-2-amino-1-hydroxyoctadecan-3-one
Q7G
Q7G
表記:2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside
組成式:C56 H92 O25
SMILES:C6=1C(C5C(CC=1)C4CC3C(C(C2(CCC(CO2)C)O3)C)C4(C)CC5)(CCC(C6)OCCC(COC7C(O)C(O)C(C(O7)CO)OC8C(C(O)C(C(O8)CO)O)O)COC9OC(C(C(C9O)O)OC%10C(C(C(O)C(CO)O%10)O)O)CO)C
InChi:InChI=1S/C56H92O25/c1-24-7-13-56(74-21-24)25(2)37-32(81-56)16-31-29-6-5-27-15-28(8-11-54(27,3)30(29)9-12-55(31,37)4)71-14-10-26(22-72-50-46(69)42(65)48(35(19-59)77-50)79-52-44(67)40(63)38(61)33(17-57)75-52)23-73-51-47(70)43(66)49(36(20-60)78-51)80-53-45(68)41(64)39(62)34(18-58)76-53/h5,24-26,28-53,57-70H,6-23H2,1-4H3/t24-,25+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-,54+,55+,56-/m1/s1
定義日:2019-09-30
最終更新日:2021-03-12
公開日:2021-03-17
識別子（ID）:2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside
OOZ
OOZ
表記:(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
組成式:C42 H67 N O12
SMILES:CC[CH]1C=C(C)C[CH](C)C[CH](O)[CH]2O[C](O)([CH](C)C[CH]2OC)C(=O)C(=O)N3CCCC[CH]3C(=O)O[CH]([CH](C)[CH](O)CC1=O)C(C)=C[CH]4CC[CH](O)[CH](C4)OC
InChi:InChI=1S/C42H67NO12/c1-9-29-17-23(2)16-24(3)18-34(47)38-36(53-8)20-26(5)42(51,55-38)39(48)40(49)43-15-11-10-12-30(43)41(50)54-37(27(6)32(45)22-33(29)46)25(4)19-28-13-14-31(44)35(21-28)52-7/h17,19,24,26-32,34-38,44-45,47,51H,9-16,18,20-22H2,1-8H3/b23-17+,25-19+/t24-,26+,27+,28-,29+,30-,31+,32-,34-,35+,36-,37+,38+,42+/m0/s1
定義日:2020-03-25
最終更新日:2021-03-05
公開日:2021-03-10
識別子（ID）:(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
OP5
OP5
表記:(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
組成式:C44 H69 N O13
SMILES:CO[CH]1C[CH](CC[CH]1O)C=C(C)[CH]2OC(=O)[CH]3CCCCN3C(=O)C(=O)[C]4(O)O[CH]([CH](C[CH](C)CC(=C[CH](CC(C)=O)C(=O)C[CH](O)[CH]2C)C)OC)[CH](C[CH]4C)OC
InChi:InChI=1S/C44H69NO13/c1-24-16-25(2)18-37(55-8)40-38(56-9)20-27(4)44(53,58-40)41(50)42(51)45-15-11-10-12-32(45)43(52)57-39(26(3)19-30-13-14-33(47)36(22-30)54-7)29(6)34(48)23-35(49)31(17-24)21-28(5)46/h17,19,25,27,29-34,36-40,47-48,53H,10-16,18,20-23H2,1-9H3/b24-17+,26-19+/t25-,27+,29+,30-,31-,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
定義日:2020-03-25
最終更新日:2021-03-05
公開日:2021-03-10
識別子（ID）:(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
OP8
OP8
表記:(1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone
組成式:C43 H69 N O13
SMILES:CC[CH]1[CH]2O[C]2(C)C[CH](C)C[CH](OC)[CH]3O[C](O)([CH](C)C[CH]3OC)C(=O)C(=O)N4CCCC[CH]4C(=O)O[CH]([CH](C)[CH](O)CC1=O)C(C)=C[CH]5CC[CH](O)[CH](C5)OC
InChi:InChI=1S/C43H69NO13/c1-10-28-32(47)21-31(46)26(5)36(24(3)18-27-14-15-30(45)33(20-27)52-7)55-41(50)29-13-11-12-16-44(29)40(49)38(48)43(51)25(4)19-35(54-9)37(56-43)34(53-8)17-23(2)22-42(6)39(28)57-42/h18,23,25-31,33-37,39,45-46,51H,10-17,19-22H2,1-9H3/b24-18+/t23-,25-,26-,27+,28+,29+,30-,31+,33-,34+,35+,36-,37-,39-,42-,43-/m1/s1
定義日:2020-03-25
最終更新日:2021-03-05
公開日:2021-03-10
ZSP
ZSP
表記:2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one
組成式:C9 H11 N5 O3
SMILES:O=C1C=2N=C(C(O)=C(O)C)CNC=2N=C(N)N1
InChi:InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h15-16H,2H2,1H3,(H4,10,11,13,14,17)/b6-3-
別名:Sepiapterin (enol-form)
定義日:2013-12-20
最終更新日:2021-03-01
公開日:2014-07-16
識別子（ID）:2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one
216
216
表記:[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
組成式:C25 H30 N2 O3
SMILES:O=C1N(C(C(O)C(O)C(N1C/C=C)Cc2ccccc2)Cc3ccccc3)CC=C
InChi:InChI=1S/C25H30N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h3-14,21-24,28-29H,1-2,15-18H2/t21-,22-,23+,24+/m1/s1
別名:XK216
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-diprop-2-en-1-yl-1,3-diazepan-2-one
234
234
表記:5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID
組成式:C21 H16 F N O7
SMILES:O=C(O)c3noc(c2c(F)ccc(/C=C/COc1cccc(O)c1C(=O)OC)c2)c3
InChi:InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+
別名:COMPOUND 9
定義日:2003-07-22
最終更新日:2021-03-01
識別子（ID）:5-(2-fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]prop-1-en-1-yl}phenyl)isoxazole-3-carboxylic acid
28S
28S
表記:6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine
組成式:C11 H10 Br N3
SMILES:Brc2cc1c(ncnc1NCC=C)cc2
InChi:InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)
別名:SMER28
定義日:2011-07-12
最終更新日:2021-03-01
識別子（ID）:6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine
2BH
2BH
表記:[(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENYL](TRIHYDROXY)BORATE(1-)
組成式:C6 H13 B N O5
SMILES:O=C(O)C(N)CC/C=C/[B-](O)(O)O
InChi:InChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1
別名:DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID
定義日:2004-06-15
最終更新日:2021-03-01
識別子（ID）:[(1E,5S)-5-amino-5-carboxypent-1-en-1-yl](trihydroxy)borate(1-)
HYF
HYF
表記:4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE
組成式:C35 H52 O4
SMILES:O=C1C2(C(O)=C(C(=O)C1(CC(CC=C(/C)C)C2(C)CCC=C(/C)C)CC=C(/C)C)CC=C(/C)C)C(=O)C(C)C
InChi:InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33-,34-,35+/m1/s1
別名:HYPERFORIN
定義日:2002-06-25
最終更新日:2021-03-01
識別子（ID）:(1R,5S,6R,7R)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
2ED
2ED
表記:N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide
組成式:C20 H39 N O3
SMILES:O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)C
InChi:InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20-/m1/s1
別名:C2-ceramide
定義日:2009-01-26
最終更新日:2021-03-01
識別子（ID）:N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide
IQB
IQB
表記:N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE
組成式:C20 H20 Br N3 O2 S
SMILES:Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c2cccc3c2ccnc3
InChi:InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
別名:H-89
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:N-(2-{[(2E)-3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide
ISC
ISC
表記:(5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
組成式:C10 H10 O6
SMILES:O=C(O)C1=CC=CC(O/C(C(=O)O)=C)C1O
InChi:InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1
別名:ISOCHORISMIC ACID
定義日:2003-01-15
最終更新日:2021-03-01
識別子（ID）:(5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
ISY
ISY
表記:3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid
組成式:C5 H12 O6 P2 S
SMILES:O=P(O)(OP(=O)(O)SCCC(=C)C)O
InChi:InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
別名:Isopentyl S-Thiolodiphosphate
定義日:2010-11-08
最終更新日:2021-03-01
識別子（ID）:S-(3-methylbut-3-en-1-yl) trihydrogen thiodiphosphate
X8W
X8W
表記:(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
組成式:C15 H12 O5
SMILES:O=C(c1c(O)cc(O)cc1O)C=Cc2ccc(O)cc2
InChi:InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H
別名:NARINGENIN CHALCONE
定義日:2014-04-24
最終更新日:2021-03-01
公開日:2015-04-08
識別子（ID）:(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
5VQ
5VQ
表記:2-Propen-1-ol
組成式:C3 H6 O
SMILES:OCC=C
InChi:InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
別名:allyl alcohol
定義日:2015-12-11
最終更新日:2021-03-01
公開日:2016-04-06
識別子（ID）:prop-2-en-1-ol
XPG
XPG
表記:7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid
組成式:C20 H34 O5
SMILES:O=C(O)CCCCCCC1C(=O)CC(O)C1/C=C/C(O)CCCCC
InChi:InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
別名:Prostaglandin E1
定義日:2013-09-17
最終更新日:2021-03-01
公開日:2014-09-10
識別子（ID）:(11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid
XT1
XT1
表記:(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
組成式: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
別名:DINOPHYSISTOXIN-1
定義日:2009-10-22
最終更新日:2021-03-01
識別子（ID）:(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
GKM
GKM
表記:1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
組成式:C39 H52 N6 O9 S
SMILES:C4CC(C(N6CC(Oc2nc1cc(OC)ccc1nc2C)CC6C(NC3(C(C3)C=CCCC4)C(NS(C5(C)CC5)(=O)=O)=O)=O)=O)NC(OC7(C)CCCC7)=O
InChi:InChI=1S/C39H52N6O9S/c1-24-33(41-30-20-26(52-4)14-15-28(30)40-24)53-27-21-31-32(46)43-39(35(48)44-55(50,51)38(3)18-19-38)22-25(39)12-8-6-5-7-9-13-29(34(47)45(31)23-27)42-36(49)54-37(2)16-10-11-17-37/h8,12,14-15,20,25,27,29,31H,5-7,9-11,13,16-19,21-23H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,27-,29+,31+,39-/m1/s1
別名:P4-3(AJ-74)
定義日:2018-05-24
最終更新日:2021-03-01
公開日:2019-07-31
識別子（ID）:1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
ZEA
ZEA
表記:(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol
組成式:C10 H13 N5 O
SMILES:n2c1c(ncn1)c(nc2)NCC=C(/C)CO
InChi:InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
別名:TRANS-ZEATIN
定義日:2004-06-23
最終更新日:2021-03-01
識別子（ID）:(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol
ZEZ
ZEZ
表記:(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol
組成式:C10 H13 N5 O
SMILES:n2c1c(ncn1)c(nc2)NC/C=C(/C)CO
InChi:InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2-
別名:CIS-ZEATIN
定義日:2008-03-03
最終更新日:2021-03-01
識別子（ID）:(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol
ZIP
ZIP
表記:N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE
組成式:C10 H13 N5
SMILES:n2c1c(ncn1)c(nc2)NCC=C(/C)C
InChi:InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
別名:ISOPENTENYLADENINE
定義日:2004-06-23
最終更新日:2021-03-01
識別子（ID）:N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine
FFA
FFA
表記:(10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE
組成式:C19 H28 O2
SMILES:O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3)C)(C)CC4
InChi:InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
別名:EPI-TESTOSTERONE
定義日:2006-10-16
最終更新日:2021-03-01
識別子（ID）:(10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one

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