Feedback

pelargonidin 3-(6-p-coumaroyl)glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM93756

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₀H₂₇O₁₂

charge

mass

579.1497

reference

chebi:80475

InChIKey

VZPBBOAZFCREMQ-SHPGVJHPSA-O

InChI

InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-26(36)27(37)28(38)30(42-24)41-23-13-20-21(34)11-19(33)12-22(20)40-29(23)16-4-8-18(32)9-5-16/h1-13,24,26-28,30,36-38H,14H2,(H3-,31,32,33,34,35)/p+1/t24-,26-,27+,28-,30-/m1/s1

SMILES

O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80475 chebi:80475	pelargonidin 3-(6-p-coumaroyl)glucoside 5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
seed.compound:cpd15084 seedM:cpd15084 kegg.compound:C16368 keggC:C16368	Pelargonidin 3-(6-p-coumaroyl)glucoside
metacyc.compound:CPD-7384 metacycM:CPD-7384 seed.compound:cpd24774 seedM:cpd24774	pelargonidin 3-O-beta-D-p-coumaroylglucoside
keggC:M_C16368 seedM:M_cpd15084 seedM:M_cpd24774	secondary/obsolete/fantasy identifier