PCIDB

KNApSAcK Metabolite C00029444

Metabolite

KNApSAcK Entry

id C00029444
Name 21beta-Methylmelianodiol
CAS RN 956104-90-8
Standard InChI InChI=1S/C31H50O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)32)12-16-30(6)19(11-15-31(21,30)7)18-17-22(36-26(18)35-8)25(33)28(3,4)34/h9,18-20,22-23,25-26,33-34H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,25-,26-,29+,30-,31-/m0/s1
Standard InChI (Main Layer) InChI=1S/C31H50O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)32)12-16-30(6)19(11-15-31(21,30)7)18-17-22(36-26(18)35-8)25(33)28(3,4)34/h9,18-20,22-23,25-26,33-34H,10-17H2,1-8H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 264

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1668619

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Rutaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Poncirus trifoliata 37690 Rutaceae rosids Viridiplantae