PCIDB

KNApSAcK Metabolite C00033906

Metabolite

KNApSAcK Entry

id C00033906
Name Helonioside A
CAS RN 107647-20-1
Standard InChI InChI=1S/C32H38O17/c1-43-20-11-16(3-7-18(20)35)5-9-24(37)45-14-23-27(40)30(47-25(38)10-6-17-4-8-19(36)21(12-17)44-2)32(15-34,48-23)49-31-29(42)28(41)26(39)22(13-33)46-31/h3-12,22-23,26-31,33-36,39-42H,13-15H2,1-2H3/b9-5+,10-6+/t22-,23-,26-,27-,28+,29-,30+,31-,32+/m1/s1
Standard InChI (Main Layer) InChI=1S/C32H38O17/c1-43-20-11-16(3-7-18(20)35)5-9-24(37)45-14-23-27(40)30(47-25(38)10-6-17-4-8-19(36)21(12-17)44-2)32(15-34,48-23)49-31-29(42)28(41)26(39)22(13-33)46-31/h3-12,22-23,26-31,33-36,39-42H,13-15H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 418

Link

ChEMBL

By standard InChI CHEMBL2151691
By standard InChI Main Layer CHEMBL2151691

KEGG

By LinkDB

CTD

By CAS RN