PCIDB

KNApSAcK Metabolite C00049085

Metabolite

KNApSAcK Entry

id C00049085
Name 3beta,23,28-Trihydroxy-12-oleanene 3beta-caffeate / (+)-3beta,23,28-Trihydroxy-12-oleanene 3beta-caffeate
CAS RN 226406-74-2
Standard InChI InChI=1S/C39H56O6/c1-34(2)17-19-39(24-41)20-18-37(5)26(27(39)22-34)9-11-31-35(3)15-14-32(36(4,23-40)30(35)13-16-38(31,37)6)45-33(44)12-8-25-7-10-28(42)29(43)21-25/h7-10,12,21,27,30-32,40-43H,11,13-20,22-24H2,1-6H3/b12-8+/t27-,30+,31+,32-,35-,36-,37+,38+,39+/m0/s1
Standard InChI (Main Layer) InChI=1S/C39H56O6/c1-34(2)17-19-39(24-41)20-18-37(5)26(27(39)22-34)9-11-31-35(3)15-14-32(36(4,23-40)30(35)13-16-38(31,37)6)45-33(44)12-8-25-7-10-28(42)29(43)21-25/h7-10,12,21,27,30-32,40-43H,11,13-20,22-24H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 78

Link

ChEMBL

By standard InChI CHEMBL503195
By standard InChI Main Layer CHEMBL503195

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Malvaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Hibiscus syriacus 106335 Malvaceae rosids Viridiplantae