PCIDB

KNApSAcK Metabolite C00013953

Metabolite

KNApSAcK Entry

id C00013953
Name Quercetagetin 7-methyl ether 3-(2'''-caffeoylglucosyl)-(1->2)-glucuronide
CAS RN
Standard InChI InChI=1S/C37H36O22/c1-53-19-10-18-22(25(46)23(19)44)26(47)31(30(54-18)13-4-6-15(40)17(42)9-13)57-37-34(29(50)28(49)32(58-37)35(51)52)59-36-33(27(48)24(45)20(11-38)55-36)56-21(43)7-3-12-2-5-14(39)16(41)8-12/h2-10,20,24,27-29,32-34,36-42,44-46,48-50H,11H2,1H3,(H,51,52)/b7-3+/t20?,24-,27+,28+,29+,32?,33?,34?,36+,37-/m1/s1
Standard InChI (Main Layer) InChI=1S/C37H36O22/c1-53-19-10-18-22(25(46)23(19)44)26(47)31(30(54-18)13-4-6-15(40)17(42)9-13)57-37-34(29(50)28(49)32(58-37)35(51)52)59-36-33(27(48)24(45)20(11-38)55-36)56-21(43)7-3-12-2-5-14(39)16(41)8-12/h2-10,20,24,27-29,32-34,36-42,44-46,48-50H,11H2,1H3,(H,51,52)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 7

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
Eriocaulaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Paepalanthus latipes 178429 Eriocaulaceae Liliopsida Viridiplantae