PCIDB

KNApSAcK Metabolite C00003506

Metabolite

KNApSAcK Entry

id C00003506
Name Bayogenin 3-O-cellobioside
CAS RN 92622-05-4
Standard InChI InChI=1S/C42H68O15/c1-37(2)11-13-42(36(52)53)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(39(4,19-45)25(38)9-10-41(26,40)6)57-35-31(51)29(49)32(24(18-44)55-35)56-34-30(50)28(48)27(47)23(17-43)54-34/h7,21-35,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22-,23?,24?,25+,26+,27+,28-,29+,30?,31?,32+,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H68O15/c1-37(2)11-13-42(36(52)53)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(39(4,19-45)25(38)9-10-41(26,40)6)57-35-31(51)29(49)32(24(18-44)55-35)56-34-30(50)28(48)27(47)23(17-43)54-34/h7,21-35,43-51H,8-19H2,1-6H3,(H,52,53)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 9

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08932

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Phytolaccaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Phytolacca dodecandra 29724 Phytolaccaceae eudicotyledons Viridiplantae