PCIDB

KNApSAcK Metabolite C00048172

Metabolite

KNApSAcK Entry

id C00048172
Name Swietenitin J
CAS RN 1173892-12-0
Standard InChI InChI=1S/C43H56O19/c1-13-40(52-12)58-31-41(62-40)30(55-32(49)35(7)21(2)56-35)33(5)20-39(41,57-23(4)45)36(8,25(33)16-27(47)50-10)42-26(46)17-34(6,29(54-22(3)44)24-14-15-53-19-24)38(18-28(48)51-11)43(31,42)61-37(9,59-38)60-42/h14-15,19,21,25-26,29-31,46H,13,16-18,20H2,1-12H3/t21-,25+,26-,29+,30+,31?,33-,34+,35+,36?,37-,38+,39-,40-,41+,42+,43+/m1/s1
Standard InChI (Main Layer) InChI=1S/C43H56O19/c1-13-40(52-12)58-31-41(62-40)30(55-32(49)35(7)21(2)56-35)33(5)20-39(41,57-23(4)45)36(8,25(33)16-27(47)50-10)42-26(46)17-34(6,29(54-22(3)44)24-14-15-53-19-24)38(18-28(48)51-11)43(31,42)61-37(9,59-38)60-42/h14-15,19,21,25-26,29-31,46H,13,16-18,20H2,1-12H3

Cluster

Phytochemical cluster
KCF-S cluster No. 196

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
Meliaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Swietenia macrophylla 43891 Meliaceae rosids Viridiplantae