PCIDB

KNApSAcK Metabolite C00031214

Metabolite

KNApSAcK Entry

id C00031214
Name Rotundioside L
CAS RN 925673-68-3
Standard InChI InChI=1S/C47H76O17/c1-20-28(52)31(55)34(63-41-35(32(56)30(54)25(17-48)60-41)62-39-33(57)29(53)24(51)18-58-39)40(59-20)61-27-10-11-44(6)26(43(27,4)5)9-12-45(7)36(44)23(50)15-21-22-16-42(2,3)13-14-47(22,19-49)38-37(64-38)46(21,45)8/h15,20,22-41,48-57H,9-14,16-19H2,1-8H3/t20-,22+,23-,24-,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41+,44+,45-,46+,47-/m1/s1
Standard InChI (Main Layer) InChI=1S/C47H76O17/c1-20-28(52)31(55)34(63-41-35(32(56)30(54)25(17-48)60-41)62-39-33(57)29(53)24(51)18-58-39)40(59-20)61-27-10-11-44(6)26(43(27,4)5)9-12-45(7)36(44)23(50)15-21-22-16-42(2,3)13-14-47(22,19-49)38-37(64-38)46(21,45)8/h15,20,22-41,48-57H,9-14,16-19H2,1-8H3

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