PCIDB

KNApSAcK Metabolite C00009066

Metabolite

KNApSAcK Entry

id C00009066
Name [3,5,7,4'-Tetrahydroxyflavan-(4->8)]3-3,4,5,7,4'-pentahydroxyflavan
CAS RN 16405-24-6
Standard InChI InChI=1S/C60H50O21/c61-26-9-1-22(2-10-26)54-50(74)46(39-31(66)17-30(65)18-38(39)78-54)40-32(67)19-33(68)41-47(51(75)55(79-58(40)41)23-3-11-27(62)12-4-23)42-34(69)20-35(70)43-48(52(76)56(80-59(42)43)24-5-13-28(63)14-6-24)44-36(71)21-37(72)45-49(73)53(77)57(81-60(44)45)25-7-15-29(64)16-8-25/h1-21,46-57,61-77H
Standard InChI (Main Layer) InChI=1S/C60H50O21/c61-26-9-1-22(2-10-26)54-50(74)46(39-31(66)17-30(65)18-38(39)78-54)40-32(67)19-33(68)41-47(51(75)55(79-58(40)41)23-3-11-27(62)12-4-23)42-34(69)20-35(70)43-48(52(76)56(80-59(42)43)24-5-13-28(63)14-6-24)44-36(71)21-37(72)45-49(73)53(77)57(81-60(44)45)25-7-15-29(64)16-8-25/h1-21,46-57,61-77H

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 113

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
Celastraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Salacia chinensis 1009589 Celastraceae rosids Viridiplantae