PCIDB

KNApSAcK Metabolite C00045122

Metabolite

KNApSAcK Entry

id C00045122
Name Triquetroside A2 / (-)-Triquetroside A2
CAS RN 628727-95-7
Standard InChI InChI=1S/C51H84O23/c1-19(18-66-47-43(39(61)35(57)29(16-52)70-47)72-45-41(63)37(59)33(55)21(3)67-45)9-12-51(65)20(2)32-28(74-51)15-27-25-8-7-23-13-24(14-31(54)50(23,6)26(25)10-11-49(27,32)5)69-48-44(40(62)36(58)30(17-53)71-48)73-46-42(64)38(60)34(56)22(4)68-46/h7,19-22,24-48,52-65H,8-18H2,1-6H3/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+,46+,47-,48-,49+,50+,51+/m1/s1
Standard InChI (Main Layer) InChI=1S/C51H84O23/c1-19(18-66-47-43(39(61)35(57)29(16-52)70-47)72-45-41(63)37(59)33(55)21(3)67-45)9-12-51(65)20(2)32-28(74-51)15-27-25-8-7-23-13-24(14-31(54)50(23,6)26(25)10-11-49(27,32)5)69-48-44(40(62)36(58)30(17-53)71-48)73-46-42(64)38(60)34(56)22(4)68-46/h7,19-22,24-48,52-65H,8-18H2,1-6H3

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