pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside (CHEBI:31969)

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CHEBI:31969 - pelargonidin 3-O-rutinoside 5-O-β-D-glucoside

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ChEBI ID	CHEBI:31969
ChEBI Name	pelargonidin 3-O-rutinoside 5-O-β-D-glucoside
Stars
ASCII Name	pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
Definition	An anthocyanin cation consisting of pelargonidin having a rutinosyl [6-deoxy-α-L-mannosyl-(1→6)-β-D-glucosyl] residue attached at the 3-hydroxy position and a β-D-glucosyl residue at the 5-hydroxy position.
Last Modified	20 September 2012
Downloads	Molfile

Formula	C33H41O19
Net Charge	+1
Average Mass	741.672
Monoisotopic Mass	741.22366
SMILES	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)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
InChI	InChI=1S/C33H40O19/c1-11-21(37)24(40)27(43)31(47-11)46-10-20-23(39)26(42)29(45)33(52-20)50-18-8-15-16(48-30(18)12-2-4-13(35)5-3-12)6-14(36)7-17(15)49-32-28(44)25(41)22(38)19(9-34)51-32/h2-8,11,19-29,31-34,37-45H,9-10H2,1H3,(H-,35,36)/p+1/t11-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1
InChIKey	YTMOEUVNNYCFEO-WYHZMSGGSA-O

ChEBI Ontology

Outgoing Relation(s)
	pelargonidin 3-O-rutinoside 5-O-β-D-glucoside (CHEBI:31969) is a anthocyanin cation (CHEBI:35218)
	pelargonidin 3-O-rutinoside 5-O-β-D-glucoside (CHEBI:31969) is a disaccharide derivative (CHEBI:63353)
	pelargonidin 3-O-rutinoside 5-O-β-D-glucoside (CHEBI:31969) is a rutinoside (CHEBI:26587)
	pelargonidin 3-O-rutinoside 5-O-β-D-glucoside (CHEBI:31969) is a β-D-glucoside (CHEBI:22798)
	pelargonidin 3-O-rutinoside 5-O-β-D-glucoside (CHEBI:31969) is conjugate acid of pelargonidin 3-O-rutinoside 5-O-β-D-glucoside betaine (CHEBI:60001)
Incoming Relation(s)
Incoming Relation(s)	pelargonidin 3-O-rutinoside 5-O-β-D-glucoside betaine (CHEBI:60001) is conjugate base of pelargonidin 3-O-rutinoside 5-O-β-D-glucoside (CHEBI:31969)

IUPAC Name
5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

Synonyms	Source
Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside	KEGG COMPOUND
Pelargonidin 3-rutinoside-5-glucopyranoside	KEGG COMPOUND

Manual Xrefs	Databases
C12645	KEGG COMPOUND

Registry Numbers	Sources
Beilstein:1418244	Beilstein
CAS:202338-79-2	KEGG COMPOUND