PCIDB

KNApSAcK Metabolite C00029813

Metabolite

KNApSAcK Entry

id C00029813
Name Bernardioside B2
CAS RN 181871-99-8
Standard InChI InChI=1S/C48H78O19/c1-20-30(52)33(55)37(59)42(63-20)66-38-35(57)32(54)27(18-62-41-36(58)34(56)31(53)26(17-49)64-41)65-43(38)67-40(61)23-15-48(7)24(22-14-44(2,3)12-10-21(22)23)8-9-29-45(4)16-25(51)39(60)46(5,19-50)28(45)11-13-47(29,48)6/h8,20-23,25-39,41-43,49-60H,9-19H2,1-7H3/t20-,21?,22+,23-,25-,26+,27+,28+,29+,30-,31+,32+,33+,34-,35-,36+,37+,38+,39-,41?,42-,43?,45-,46-,47+,48+/m0/s1
Standard InChI (Main Layer) InChI=1S/C48H78O19/c1-20-30(52)33(55)37(59)42(63-20)66-38-35(57)32(54)27(18-62-41-36(58)34(56)31(53)26(17-49)64-41)65-43(38)67-40(61)23-15-48(7)24(22-14-44(2,3)12-10-21(22)23)8-9-29-45(4)16-25(51)39(60)46(5,19-50)28(45)11-13-47(29,48)6/h8,20-23,25-39,41-43,49-60H,9-19H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 9

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

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
Bellis perennis 41492 Asteraceae asterids Viridiplantae