PCIDB

KNApSAcK Metabolite C00041058

Metabolite

KNApSAcK Entry

id C00041058
Name Methyl benthamate
CAS RN 120416-04-8
Standard InChI InChI=1S/C37H60O8/c1-20-12-17-37(31(41)43-9)19-18-34(6)22(29(37)36(20,8)42)10-11-24-33(5)15-14-25(32(3,4)23(33)13-16-35(24,34)7)45-30-28(40)27(39)26(38)21(2)44-30/h10,20-21,23-30,38-40,42H,11-19H2,1-9H3/t20-,21+,23+,24-,25+,26+,27-,28-,29-,30+,33+,34-,35-,36-,37+/m1/s1
Standard InChI (Main Layer) InChI=1S/C37H60O8/c1-20-12-17-37(31(41)43-9)19-18-34(6)22(29(37)36(20,8)42)10-11-24-33(5)15-14-25(32(3,4)23(33)13-16-35(24,34)7)45-30-28(40)27(39)26(38)21(2)44-30/h10,20-21,23-30,38-40,42H,11-19H2,1-9H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 50

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Urticaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Myrianthus serratus 1220083 Urticaceae rosids Viridiplantae