PCIDB

KNApSAcK Metabolite C00015870

Metabolite

KNApSAcK Entry

id C00015870
Name Scirpusin B
CAS RN 69297-49-0
Standard InChI InChI=1S/C28H22O8/c29-18-9-17(10-19(30)12-18)27-26-15(3-1-14-2-5-21(32)23(34)7-14)8-20(31)13-25(26)36-28(27)16-4-6-22(33)24(35)11-16/h1-13,27-35H/b3-1-/t27-,28+/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H22O8/c29-18-9-17(10-19(30)12-18)27-26-15(3-1-14-2-5-21(32)23(34)7-14)8-20(31)13-25(26)36-28(27)16-4-6-22(33)24(35)11-16/h1-13,27-35H

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL514088 CHEMBL596359

KEGG

By LinkDB

CTD

By CAS RN