PCIDB

KNApSAcK Metabolite C00031227

Metabolite

KNApSAcK Entry

id C00031227
Name Rotundioside Y
CAS RN 343255-03-8
Standard InChI InChI=1S/C49H82O17/c1-22-31(53)34(56)37(59)41(61-22)65-39-36(58)33(55)27(20-50)63-43(39)66-38-35(57)32(54)23(2)62-42(38)64-30-12-13-46(7)28(45(30,5)6)11-14-47(8)40(46)26(60-10)17-24-25-18-44(3,4)15-16-49(25,21-51)29(52)19-48(24,47)9/h17,22-23,25-43,50-59H,11-16,18-21H2,1-10H3/t22-,23+,25-,26+,27+,28-,29+,30-,31+,32-,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,46-,47+,48+,49+/m0/s1
Standard InChI (Main Layer) InChI=1S/C49H82O17/c1-22-31(53)34(56)37(59)41(61-22)65-39-36(58)33(55)27(20-50)63-43(39)66-38-35(57)32(54)23(2)62-42(38)64-30-12-13-46(7)28(45(30,5)6)11-14-47(8)40(46)26(60-10)17-24-25-18-44(3,4)15-16-49(25,21-51)29(52)19-48(24,47)9/h17,22-23,25-43,50-59H,11-16,18-21H2,1-10H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 11

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
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bupleurum rotundifolium 90446 Apiaceae asterids Viridiplantae