PCIDB

KNApSAcK Metabolite C00045123

Metabolite

KNApSAcK Entry

id C00045123
Name Triquetroside B / (-)-Triquetroside B
CAS RN 628727-98-0
Standard InChI InChI=1S/C51H82O22/c1-19(18-65-48-44(40(61)36(57)30(16-52)70-48)72-46-42(63)38(59)34(55)21(3)66-46)7-10-28-20(2)33-29(69-28)15-27-25-9-8-23-13-24(14-32(54)51(23,6)26(25)11-12-50(27,33)5)68-49-45(41(62)37(58)31(17-53)71-49)73-47-43(64)39(60)35(56)22(4)67-47/h8,19,21-22,24-27,29-49,52-64H,7,9-18H2,1-6H3/t19-,21+,22+,24-,25-,26+,27+,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43-,44-,45-,46+,47+,48-,49-,50+,51+/m1/s1
Standard InChI (Main Layer) InChI=1S/C51H82O22/c1-19(18-65-48-44(40(61)36(57)30(16-52)70-48)72-46-42(63)38(59)34(55)21(3)66-46)7-10-28-20(2)33-29(69-28)15-27-25-9-8-23-13-24(14-32(54)51(23,6)26(25)11-12-50(27,33)5)68-49-45(41(62)37(58)31(17-53)71-49)73-47-43(64)39(60)35(56)22(4)67-47/h8,19,21-22,24-27,29-49,52-64H,7,9-18H2,1-6H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 21

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Liliopsida 1

Family

family name count
Amaryllidaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Allium triquetrum 74902 Amaryllidaceae Liliopsida Viridiplantae