PCIDB

KNApSAcK Metabolite C00044281

Metabolite

KNApSAcK Entry

id C00044281
Name Parviflorin / Squamocin E
CAS RN 152378-19-3
Standard InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-9-11-14-17-28(36)25-27-24-26(2)40-35(27)39/h24,26,28-34,36-38H,3-23,25H2,1-2H3/t26-,28+,29+,30+,31+,32+,33+,34+/m0/s1
Standard InChI (Main Layer) InChI=1S/C35H62O7/c1-3-4-5-6-7-8-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-9-11-14-17-28(36)25-27-24-26(2)40-35(27)39/h24,26,28-34,36-38H,3-23,25H2,1-2H3

Cluster

Phytochemical cluster No. 70
KCF-S cluster No. 6

Link

ChEMBL

By standard InChI CHEMBL448258
By standard InChI Main Layer CHEMBL268185 CHEMBL110333 CHEMBL145222 CHEMBL502162 CHEMBL448258 CHEMBL606053

KEGG

By LinkDB

CTD

By CAS RN