PCIDB

KNApSAcK Metabolite C00034448

Metabolite

KNApSAcK Entry

id C00034448
Name Bacobitacin D / (-)-Bacobitacin D
CAS RN 942041-65-8
Standard InChI InChI=1S/C54H80O25/c1-20-32(61)36(65)38(67)45(72-20)77-40-35(64)29(76-48-41(34(63)28(18-55)75-48)78-46-39(68)37(66)33(62)21(2)73-46)19-71-47(40)74-27-15-24-23(50(6,7)44(27)69)14-25(57)42-51(8)16-26(58)43(52(51,9)17-31(60)53(24,42)10)54(11,70)30(59)12-13-49(4,5)79-22(3)56/h12-15,20-21,24-26,28-29,32-43,45-48,55,57-58,61-68,70H,16-19H2,1-11H3/b13-12+/t20-,21-,24+,25-,26+,28-,29-,32-,33-,34-,35-,36+,37+,38+,39+,40+,41+,42-,43-,45-,46-,47-,48-,51-,52+,53+,54-/m0/s1
Standard InChI (Main Layer) InChI=1S/C54H80O25/c1-20-32(61)36(65)38(67)45(72-20)77-40-35(64)29(76-48-41(34(63)28(18-55)75-48)78-46-39(68)37(66)33(62)21(2)73-46)19-71-47(40)74-27-15-24-23(50(6,7)44(27)69)14-25(57)42-51(8)16-26(58)43(52(51,9)17-31(60)53(24,42)10)54(11,70)30(59)12-13-49(4,5)79-22(3)56/h12-15,20-21,24-26,28-29,32-43,45-48,55,57-58,61-68,70H,16-19H2,1-11H3

Cluster

Phytochemical cluster
KCF-S cluster No. 4491

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