PCIDB

KNApSAcK Metabolite C00040652

Metabolite

KNApSAcK Entry

id C00040652
Name Withametelin P / (-)-Withametelin P
CAS RN 946131-66-4
Standard InChI InChI=1S/C34H50O12/c1-16-11-23(45-30(42)19(16)15-44-31-29(41)28(40)27(39)24(14-36)46-31)18(13-35)21-7-6-20-17-12-26(38)34(43)9-4-5-25(37)33(34,3)22(17)8-10-32(20,21)2/h4-5,17-18,20-24,26-29,31,35-36,38-41,43H,6-15H2,1-3H3/t17-,18-,20-,21+,22-,23?,24+,26+,27+,28-,29+,31+,32-,33-,34-/m0/s1
Standard InChI (Main Layer) InChI=1S/C34H50O12/c1-16-11-23(45-30(42)19(16)15-44-31-29(41)28(40)27(39)24(14-36)46-31)18(13-35)21-7-6-20-17-12-26(38)34(43)9-4-5-25(37)33(34,3)22(17)8-10-32(20,21)2/h4-5,17-18,20-24,26-29,31,35-36,38-41,43H,6-15H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1828

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL231417

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Solanaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Datura metel 35625 Solanaceae asterids Viridiplantae