PCIDB

KNApSAcK Metabolite C00037577

Metabolite

KNApSAcK Entry

id C00037577
Name Oenotherin T1
CAS RN 412955-91-0
Standard InChI InChI=1S/C102H72O67/c103-16-51(85(166-89(139)22-1-34(106)61(121)35(107)2-22)82-45(117)19-154-92(142)25-7-40(112)64(124)72(132)55(25)56-26(95(145)163-82)8-41(113)65(125)73(56)133)160-98(148)31-9-42(114)66(126)76(136)79(31)157-48-12-27-57(74(134)69(48)129)58-28-13-49(70(130)75(58)135)158-80-32(10-43(115)67(127)77(80)137)99(149)162-53(18-105)87(168-91(141)24-5-38(110)63(123)39(111)6-24)84-47(119)21-156-94(144)29-14-50(71(131)88-59(29)60-30(97(147)165-84)15-54(120)101(151,152)102(60,153)169-88)159-81-33(11-44(116)68(128)78(81)138)100(150)161-52(17-104)86(83(164-96(28)146)46(118)20-155-93(27)143)167-90(140)23-3-36(108)62(122)37(109)4-23/h1-18,45-47,51-53,60,82-87,106-119,121-138,151-153H,19-21H2
Standard InChI (Main Layer) InChI=1S/C102H72O67/c103-16-51(85(166-89(139)22-1-34(106)61(121)35(107)2-22)82-45(117)19-154-92(142)25-7-40(112)64(124)72(132)55(25)56-26(95(145)163-82)8-41(113)65(125)73(56)133)160-98(148)31-9-42(114)66(126)76(136)79(31)157-48-12-27-57(74(134)69(48)129)58-28-13-49(70(130)75(58)135)158-80-32(10-43(115)67(127)77(80)137)99(149)162-53(18-105)87(168-91(141)24-5-38(110)63(123)39(111)6-24)84-47(119)21-156-94(144)29-14-50(71(131)88-59(29)60-30(97(147)165-84)15-54(120)101(151,152)102(60,153)169-88)159-81-33(11-44(116)68(128)78(81)138)100(150)161-52(17-104)86(83(164-96(28)146)46(118)20-155-93(27)143)167-90(140)23-3-36(108)62(122)37(109)4-23/h1-18,45-47,51-53,60,82-87,106-119,121-138,151-153H,19-21H2

Cluster

Phytochemical cluster
KCF-S cluster No. 457

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Onagraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Oenothera tetraptera 238300 Onagraceae rosids Viridiplantae