PCIDB

KNApSAcK Metabolite C00009188

Metabolite

KNApSAcK Entry

id C00009188
Name Kandelin B4 / Cinchonain-1b-(4beta->8)-epicatechin-(4beta->8)-catechin
CAS RN 96156-07-9
Standard InChI InChI=1S/C54H44O21/c55-24-5-1-18(9-29(24)60)22-14-39(69)72-38-17-36(67)44-46(48(71)50(74-53(44)40(22)38)20-3-7-26(57)31(62)11-20)43-35(66)16-34(65)42-45(47(70)51(75-54(42)43)21-4-8-27(58)32(63)12-21)41-33(64)15-28(59)23-13-37(68)49(73-52(23)41)19-2-6-25(56)30(61)10-19/h1-12,15-17,22,37,45-51,55-68,70-71H,13-14H2/t22-,37+,45+,46+,47-,48-,49-,50-,51-/m1/s1
Standard InChI (Main Layer) InChI=1S/C54H44O21/c55-24-5-1-18(9-29(24)60)22-14-39(69)72-38-17-36(67)44-46(48(71)50(74-53(44)40(22)38)20-3-7-26(57)31(62)11-20)43-35(66)16-34(65)42-45(47(70)51(75-54(42)43)21-4-8-27(58)32(63)12-21)41-33(64)15-28(59)23-13-37(68)49(73-52(23)41)19-2-6-25(56)30(61)10-19/h1-12,15-17,22,37,45-51,55-68,70-71H,13-14H2

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
Rhizophoraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Kandelia candel 61147 Rhizophoraceae rosids Viridiplantae