PCIDB

KNApSAcK Metabolite C00034781

Metabolite

KNApSAcK Entry

id C00034781
Name Acetylaleuritolic acid / 3-Acetyl aleuritolic acid / (+)-Aleuritolic acid acetate / (+)-3-Acetyl aleuritolic acid
CAS RN 28937-85-1
Standard InChI InChI=1S/C32H50O4/c1-20(33)36-25-12-15-29(6)21(28(25,4)5)9-13-30(7)22(29)10-14-31(8)23(30)11-16-32(26(34)35)18-17-27(2,3)19-24(31)32/h11,21-22,24-25H,9-10,12-19H2,1-8H3,(H,34,35)/t21-,22+,24-,25-,29-,30+,31+,32+/m0/s1
Standard InChI (Main Layer) InChI=1S/C32H50O4/c1-20(33)36-25-12-15-29(6)21(28(25,4)5)9-13-30(7)22(29)10-14-31(8)23(30)11-16-32(26(34)35)18-17-27(2,3)19-24(31)32/h11,21-22,24-25H,9-10,12-19H2,1-8H3,(H,34,35)

Cluster

Phytochemical cluster
KCF-S cluster No. 177

Link

ChEMBL

By standard InChI CHEMBL439422
By standard InChI Main Layer CHEMBL439422

KEGG

By LinkDB

CTD

By CAS RN C014947