Metabolite

KNApSAcK Entry

id C00002916
Name 3,5-Di-galloyl-4-O-digalloylquinic acid
CAS RN 123134-19-0
Standard InChI InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)43)30(47)54-22-8-14(7-21(42)28(22)46)33(50)57-29-23(55-31(48)12-3-17(38)26(44)18(39)4-12)9-35(53,34(51)52)10-24(29)56-32(49)13-5-19(40)27(45)20(41)6-13/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29-,35+/m1/s1
Standard InChI (Main Layer) InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)43)30(47)54-22-8-14(7-21(42)28(22)46)33(50)57-29-23(55-31(48)12-3-17(38)26(44)18(39)4-12)9-35(53,34(51)52)10-24(29)56-32(49)13-5-19(40)27(45)20(41)6-13/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)

Cluster

Phytochemical cluster No. 81
KCF-S cluster No. 448

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C10220

CTD

By CAS RN C061725

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Anacardiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rhus semialata 4012 Anacardiaceae rosids Viridiplantae