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3-Caffeoylpelargonidin 5-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM117390

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

formula

C₃₀H₂₇O₁₃

charge

mass

595.14462

reference

chebi:168661

InChIKey

KYTVPWHUQGWZRC-UHFFFAOYSA-O

InChI

InChI=1S/C30H26O13/c31-13-24-26(37)27(38)28(39)30(43-24)42-22-11-17(33)10-21-18(22)12-23(29(41-21)15-3-5-16(32)6-4-15)40-25(36)8-2-14-1-7-19(34)20(35)9-14/h1-12,24,26-28,30-31,37-39H,13H2,(H3-,32,33,34,35,36)/p+1

SMILES

O=C(/C=C/c1ccc(O)c(O)c1)Oc1cc2c(OC3OC(CO)C(O)C(O)C3O)cc(O)cc2[o+]c1-c1ccc(O)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168661 chebi:168661	3-Caffeoylpelargonidin 5-glucoside [7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
hmdb:HMDB0038087	3-Caffeoylpelargonidin 5-glucoside 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda⁴-chromen-1-ylium
hmdb:HMDB38087	secondary/obsolete/fantasy identifier