PCIDB

KNApSAcK Metabolite C00034447

Metabolite

KNApSAcK Entry

id C00034447
Name Bacobitacin C / (-)-Bacobitacin C
CAS RN 942041-64-7
Standard InChI InChI=1S/C54H80O24/c1-21-33(60)37(64)39(66)45(71-21)76-41-36(63)29(75-48-42(35(62)28(19-55)74-48)77-46-40(67)38(65)34(61)22(2)72-46)20-70-47(41)73-27-16-25-24(50(6,7)44(27)68)12-13-30-51(8)17-26(57)43(52(51,9)18-32(59)53(25,30)10)54(11,69)31(58)14-15-49(4,5)78-23(3)56/h12,14-16,21-22,25-26,28-30,33-43,45-48,55,57,60-67,69H,13,17-20H2,1-11H3/b15-14+/t21-,22-,25+,26+,28-,29-,30-,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/C54H80O24/c1-21-33(60)37(64)39(66)45(71-21)76-41-36(63)29(75-48-42(35(62)28(19-55)74-48)77-46-40(67)38(65)34(61)22(2)72-46)20-70-47(41)73-27-16-25-24(50(6,7)44(27)68)12-13-30-51(8)17-26(57)43(52(51,9)18-32(59)53(25,30)10)54(11,69)31(58)14-15-49(4,5)78-23(3)56/h12,14-16,21-22,25-26,28-30,33-43,45-48,55,57,60-67,69H,13,17-20H2,1-11H3

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