PCIDB

KNApSAcK Metabolite C00031028

Metabolite

KNApSAcK Entry

id C00031028
Name Picroside I
CAS RN 27409-30-9
Standard InChI InChI=1S/C24H28O11/c25-11-24-16-13(17(27)21(24)35-24)8-9-31-22(16)34-23-20(30)19(29)18(28)14(33-23)10-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1
Standard InChI (Main Layer) InChI=1S/C24H28O11/c25-11-24-16-13(17(27)21(24)35-24)8-9-31-22(16)34-23-20(30)19(29)18(28)14(33-23)10-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2

Cluster

Phytochemical cluster No. 36
KCF-S cluster No. 120

Link

ChEMBL

By standard InChI CHEMBL454577
By standard InChI Main Layer CHEMBL454577

KEGG

By LinkDB

CTD

By CAS RN C109270