PCIDB

KNApSAcK Metabolite C00015869

Metabolite

KNApSAcK Entry

id C00015869
Name Scirpusin A
CAS RN 69297-51-4
Standard InChI InChI=1S/C28H22O7/c29-19-6-2-15(3-7-19)1-4-16-9-22(32)14-25-26(16)27(18-10-20(30)13-21(31)11-18)28(35-25)17-5-8-23(33)24(34)12-17/h1-14,27-34H/b4-1+/t27-,28+/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H22O7/c29-19-6-2-15(3-7-19)1-4-16-9-22(32)14-25-26(16)27(18-10-20(30)13-21(31)11-18)28(35-25)17-5-8-23(33)24(34)12-17/h1-14,27-34H

Cluster

Phytochemical cluster No. 30
KCF-S cluster No. 108

Link

ChEMBL

By standard InChI CHEMBL594088
By standard InChI Main Layer CHEMBL478595 CHEMBL594088

KEGG

By LinkDB

CTD

By CAS RN