PCIDB

KNApSAcK Metabolite C00003703

Metabolite

KNApSAcK Entry

id C00003703
Name Bruceoside A
CAS RN 63306-30-9
Standard InChI InChI=1S/C32H42O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,12-13,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t12-,13-,15?,16+,19+,20-,21?,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1
Standard InChI (Main Layer) InChI=1S/C32H42O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,12-13,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 875

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL504960

KEGG

By LinkDB C08753

CTD

By CAS RN C020236

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Simaroubaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Brucea javanica 210348 Simaroubaceae rosids Viridiplantae