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pelargonidin 3-O-rutinoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM3686

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₇H₃₀O₁₄

charge

mass

578.16356

reference

chebi:60048

InChIKey

IFYOHQQBIKDHFT-ASZXTAQUSA-N

InChI

InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c([O-])cc(O)cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[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:60048 chebi:60048	pelargonidin 3-O-rutinoside 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)chromenium-5-olate 3-{[6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)chromenium-5-olate pelargonidin 3-O-rutinoside betaine
kegg.compound:C12644 keggC:C12644	Pelargonidin 3-O-rutinoside
seed.compound:cpd09275 seedM:cpd09275	Pelargonidin 3-O-rutinoside pelargonidin-3-O-rhamnoglucoside pelargonidin-3-O-rutinoside
CHEBI:31968 chebi:31968	pelargonidin 3-O-rutinoside 5,7-dihydroxy-2-(4-hydroxyphenyl)chromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside Pelargonidin 3-O-rutinoside
metacyc.compound:CPD-7144 metacycM:CPD-7144	pelargonidin-3-O-rutinoside pelargonidin-3-O-rhamnoglucoside
keggC:M_C12644 seedM:M_cpd09275	secondary/obsolete/fantasy identifier