PCIDB

KNApSAcK Metabolite C00042799

Metabolite

KNApSAcK Entry

id C00042799
Name Ocotillol II
CAS RN 19942-04-2
Standard InChI InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 23

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL375698 CHEMBL523757

KEGG

By LinkDB

CTD

By CAS RN