PCIDB

KNApSAcK Metabolite C00012973

Metabolite

KNApSAcK Entry

id C00012973
Name Ludalbin / [3aR-(3aalpha,4alpha,5abeta,6alpha,9aalpha,9bbeta)]-4-(acetyloxy)-3a,4,5,5a,6,7,9a,9b-Octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
CAS RN 36437-90-8
Standard InChI InChI=1S/C17H22O5/c1-8-5-6-12(19)17(4)7-11(21-10(3)18)13-9(2)16(20)22-15(13)14(8)17/h5,11-15,19H,2,6-7H2,1,3-4H3/t11-,12-,13+,14+,15-,17-/m0/s1
Standard InChI (Main Layer) InChI=1S/C17H22O5/c1-8-5-6-12(19)17(4)7-11(21-10(3)18)13-9(2)16(20)22-15(13)14(8)17/h5,11-15,19H,2,6-7H2,1,3-4H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 157

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN