PCIDB

KNApSAcK Metabolite C00006898

Metabolite

KNApSAcK Entry

id C00006898
Name Petunidin 3-(6''-p-coumarylglucoside)-5-glucoside
CAS RN 51939-66-3
Standard InChI InChI=1S/C37H38O19/c1-50-23-9-16(8-20(41)28(23)43)35-24(12-19-21(52-35)10-18(40)11-22(19)53-36-33(48)31(46)29(44)25(13-38)55-36)54-37-34(49)32(47)30(45)26(56-37)14-51-27(42)7-4-15-2-5-17(39)6-3-15/h2-12,25-26,29-34,36-38,44-49H,13-14H2,1H3,(H3-,39,40,41,42,43)/p+1/t25?,26?,29-,30-,31+,32?,33?,34?,36-,37-/m1/s1
Standard InChI (Main Layer) InChI=1S/C37H38O19/c1-50-23-9-16(8-20(41)28(23)43)35-24(12-19-21(52-35)10-18(40)11-22(19)53-36-33(48)31(46)29(44)25(13-38)55-36)54-37-34(49)32(47)30(45)26(56-37)14-51-27(42)7-4-15-2-5-17(39)6-3-15/h2-12,25-26,29-34,36-38,44-49H,13-14H2,1H3,(H3-,39,40,41,42,43)

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
rosids 1

Family

family name count
Vitaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Vitis rotundifolia 103349 Vitaceae rosids Viridiplantae