PCIDB

KNApSAcK Metabolite C00038134

Metabolite

KNApSAcK Entry

id C00038134
Name 12alpha-Acetoxyswietephragmin C
CAS RN 1078734-46-9
Standard InChI InChI=1S/C39H48O14/c1-10-19(3)29(43)50-30-32(6)18-35(44)34(8,23(32)14-26(41)46-9)36-16-25(48-21(5)40)33(7)24(15-27(42)49-28(33)22-12-13-47-17-22)38(36)31(37(30,35)45)51-39(52-36,53-38)20(4)11-2/h10,12-13,15,17,20,23,25,28,30-31,44-45H,11,14,16,18H2,1-9H3/b19-10+/t20?,23-,25-,28-,30-,31?,32+,33-,34+,35+,36?,37-,38?,39?/m0/s1
Standard InChI (Main Layer) InChI=1S/C39H48O14/c1-10-19(3)29(43)50-30-32(6)18-35(44)34(8,23(32)14-26(41)46-9)36-16-25(48-21(5)40)33(7)24(15-27(42)49-28(33)22-12-13-47-17-22)38(36)31(37(30,35)45)51-39(52-36,53-38)20(4)11-2/h10,12-13,15,17,20,23,25,28,30-31,44-45H,11,14,16,18H2,1-9H3

Cluster

Phytochemical cluster
KCF-S cluster No. 378

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