PCIDB

KNApSAcK Metabolite C00012494

Metabolite

KNApSAcK Entry

id C00012494
Name Nematolin / Naematolin / [1S-(1R*,4S*,5E,7S*,8R*,9R*)]-4-(Acetyloxy)-7,8-dihydroxy-6,10,10-trimethyl-2-methylenebicyclo[7.2.0]undec-5-en-3-one
CAS RN 11054-16-3
Standard InChI InChI=1S/C17H24O5/c1-8-6-12(22-10(3)18)15(20)9(2)11-7-17(4,5)13(11)16(21)14(8)19/h6,11-14,16,19,21H,2,7H2,1,3-5H3/b8-6-/t11-,12-,13-,14-,16+/m1/s1
Standard InChI (Main Layer) InChI=1S/C17H24O5/c1-8-6-12(22-10(3)18)15(20)9(2)11-7-17(4,5)13(11)16(21)14(8)19/h6,11-14,16,19,21H,2,7H2,1,3-5H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 3073

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN