PCIDB

KNApSAcK Metabolite C00003310

Metabolite

KNApSAcK Entry

id C00003310
Name Ivalin / [3aR-(3aalpha,4aalpha,7alpha,8abeta,9aalpha)]-Decahydro-7-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one
CAS RN 5938-03-4
Standard InChI InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13+,15+/m0/s1
Standard InChI (Main Layer) InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10-13,16H,1-2,4-7H2,3H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 69

Link

ChEMBL

By standard InChI CHEMBL1644108
By standard InChI Main Layer CHEMBL1644108 CHEMBL1974789

KEGG

By LinkDB C09488

CTD

By CAS RN C049171