PCIDB

KNApSAcK Metabolite C00029782

Metabolite

KNApSAcK Entry

id C00029782
Name Bacoside A1
CAS RN 58798-94-0
Standard InChI InChI=1S/C40H64O12/c1-20(2)14-21-16-48-40-18-39(19-49-40)22(32(40)38(21,7)46)8-9-26-36(5)12-11-27(35(3,4)25(36)10-13-37(26,39)6)51-33-30(45)31(23(42)17-47-33)52-34-29(44)28(43)24(15-41)50-34/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21-,22-,23+,24+,25+,26-,27+,28+,29-,30-,31+,32+,33+,34+,36+,37-,38+,39+,40-/m1/s1
Standard InChI (Main Layer) InChI=1S/C40H64O12/c1-20(2)14-21-16-48-40-18-39(19-49-40)22(32(40)38(21,7)46)8-9-26-36(5)12-11-27(35(3,4)25(36)10-13-37(26,39)6)51-33-30(45)31(23(42)17-47-33)52-34-29(44)28(43)24(15-41)50-34/h14,21-34,41-46H,8-13,15-19H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 32

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Plantaginaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bacopa monnieri 263974 Plantaginaceae asterids Viridiplantae