Metabolite

KNApSAcK Entry

id C00012585
Name Baccharin B 3 / Isobaccharisol / Baccharinoid B 3 / [2'R,7'R(S),8R]-7'-Deoxo-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A
CAS RN 72074-16-9
Standard InChI InChI=1S/C29H40O10/c1-16-9-10-35-20(18(3)30)7-5-6-8-24(32)39-21-12-23-29(15-37-29)27(21,4)28(14-36-26(34)25(16)33)13-19(31)17(2)11-22(28)38-23/h5-8,11,16,18-23,25,30-31,33H,9-10,12-15H2,1-4H3/b7-5+,8-6+
Standard InChI (Main Layer) InChI=1S/C29H40O10/c1-16-9-10-35-20(18(3)30)7-5-6-8-24(32)39-21-12-23-29(15-37-29)27(21,4)28(14-36-26(34)25(16)33)13-19(31)17(2)11-22(28)38-23/h5-8,11,16,18-23,25,30-31,33H,9-10,12-15H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 84

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL407172 CHEMBL500727 CHEMBL477976 CHEMBL1079021 CHEMBL1079235 CHEMBL1999642

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Baccharis megapotamica 41487 Asteraceae asterids Viridiplantae