PCIDB

KNApSAcK Metabolite C00048559

Metabolite

KNApSAcK Entry

id C00048559
Name Trachinodiol 7beta-monoacetate
CAS RN 50439-50-4
Standard InChI InChI=1S/C22H34O3/c1-13(24)25-18-9-16-19(2,12-23)6-5-7-20(16,3)17-8-14-15-10-22(17,18)11-21(14,15)4/h14-18,23H,5-12H2,1-4H3/t14?,15-,16+,17-,18-,19+,20+,21?,22+/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H34O3/c1-13(24)25-18-9-16-19(2,12-23)6-5-7-20(16,3)17-8-14-15-10-22(17,18)11-21(14,15)4/h14-18,23H,5-12H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 4025

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN