PCIDB

KNApSAcK Metabolite C00032096

Metabolite

KNApSAcK Entry

id C00032096
Name Orbiculatoside B / (-)-Orbiculatoside B
CAS RN 384343-16-2
Standard InChI InChI=1S/C45H72O17/c1-19-30-28(62-45(19)13-8-22(16-46)18-55-45)15-27-25-7-6-23-14-24(9-11-43(23,4)26(25)10-12-44(27,30)5)58-42-39(61-41-36(53)34(51)32(49)21(3)57-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)20(2)56-40/h6,19-22,24-42,46-54H,7-18H2,1-5H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1
Standard InChI (Main Layer) InChI=1S/C45H72O17/c1-19-30-28(62-45(19)13-8-22(16-46)18-55-45)15-27-25-7-6-23-14-24(9-11-43(23,4)26(25)10-12-44(27,30)5)58-42-39(61-41-36(53)34(51)32(49)21(3)57-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)20(2)56-40/h6,19-22,24-42,46-54H,7-18H2,1-5H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 17

Link

ChEMBL

By standard InChI CHEMBL450855
By standard InChI Main Layer CHEMBL450855

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Liliopsida 1

Family

family name count
Dioscoreaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Dioscorea deltoidea var.orbiculata 4672 Dioscoreaceae Liliopsida Viridiplantae