PCIDB

KNApSAcK Metabolite C00045186

Metabolite

KNApSAcK Entry

id C00045186
Name 6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid / (+)-6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
CAS RN 443686-96-2
Standard InChI InChI=1S/C30H44O6/c1-16(2)17-9-12-29(24(33)34)13-14-30(25(35)36)18(22(17)29)7-8-20-27(5)11-10-21(32)26(3,4)23(27)19(31)15-28(20,30)6/h17-20,22-23,31H,1,7-15H2,2-6H3,(H,33,34)(H,35,36)/t17-,18+,19-,20+,22+,23-,27+,28+,29-,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H44O6/c1-16(2)17-9-12-29(24(33)34)13-14-30(25(35)36)18(22(17)29)7-8-20-27(5)11-10-21(32)26(3,4)23(27)19(31)15-28(20,30)6/h17-20,22-23,31H,1,7-15H2,2-6H3,(H,33,34)(H,35,36)

Cluster

Phytochemical cluster
KCF-S cluster No. 2920

Link

ChEMBL

By standard InChI CHEMBL508080
By standard InChI Main Layer CHEMBL509225 CHEMBL508080

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Adoxaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Viburnum odoratissimum 237951 Adoxaceae asterids Viridiplantae