PCIDB

KNApSAcK Metabolite C00003577

Metabolite

KNApSAcK Entry

id C00003577
Name Gitogenin
CAS RN 511-96-6
Standard InChI InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24+,25+,26+,27-/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 171

Link

ChEMBL

By standard InChI CHEMBL1770687
By standard InChI Main Layer CHEMBL1770687

KEGG

By LinkDB C08899

CTD

By CAS RN C012999