PCIDB

KNApSAcK Metabolite C00007217

Metabolite

KNApSAcK Entry

id C00007217
Name Gomisin B
CAS RN 58546-55-7
Standard InChI InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9-/t15-,26-,28-/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3

Cluster

Phytochemical cluster No. 21
KCF-S cluster No. 147

Link

ChEMBL

By standard InChI CHEMBL490308
By standard InChI Main Layer CHEMBL253687 CHEMBL253907 CHEMBL490308 CHEMBL491342 CHEMBL1867703 CHEMBL2313594

KEGG

By LinkDB C17814

CTD

By CAS RN C082090