delphinidin 3-O-rutinoside-7-O-beta-D-glucoside (CHEBI:145693)

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CHEBI:145693 - delphinidin 3-O-rutinoside-7-O-β-D-glucoside

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ChEBI ID	CHEBI:145693
ChEBI Name	delphinidin 3-O-rutinoside-7-O-β-D-glucoside
Stars
ASCII Name	delphinidin 3-O-rutinoside-7-O-beta-D-glucoside
Definition	An anthocyanin cation consisting of delphinidin 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 7-hydroxy position.
Last Modified	16 December 2019
Submitter	Adnan
Downloads	Molfile

Formula	C33H41O21
Net Charge	+1
Average Mass	773.670
Monoisotopic Mass	773.21348
SMILES	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-13(35)4-11(50-32-28(46)25(43)22(40)18(7-34)53-32)5-16(12)51-30(17)10-2-14(36)21(39)15(37)3-10/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/p+1/t9-,18+,19+,20-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1
InChIKey	RNPFWTUNILZAAJ-GNQVHQKOSA-O

ChEBI Ontology

Outgoing Relation(s)
	delphinidin 3-O-rutinoside-7-O-β-D-glucoside (CHEBI:145693) has functional parent delphinidin (CHEBI:28436)
	delphinidin 3-O-rutinoside-7-O-β-D-glucoside (CHEBI:145693) is a anthocyanin cation (CHEBI:35218)
	delphinidin 3-O-rutinoside-7-O-β-D-glucoside (CHEBI:145693) is a disaccharide derivative (CHEBI:63353)
	delphinidin 3-O-rutinoside-7-O-β-D-glucoside (CHEBI:145693) is a rutinoside (CHEBI:26587)
	delphinidin 3-O-rutinoside-7-O-β-D-glucoside (CHEBI:145693) is a β-D-glucoside (CHEBI:22798)
	delphinidin 3-O-rutinoside-7-O-β-D-glucoside (CHEBI:145693) is conjugate acid of delphinidin 3-O-rutinoside-7-O-β-D-glucoside betaine (CHEBI:145695)
Incoming Relation(s)
Incoming Relation(s)	delphinidin 3-O-rutinoside-7-O-β-D-glucoside betaine (CHEBI:145695) is conjugate base of delphinidin 3-O-rutinoside-7-O-β-D-glucoside (CHEBI:145693)

IUPAC Name
3-{[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-7-yl β-D-glucopyranoside

Synonyms	Source
3-{[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium-7-yl β-D-glucopyranoside	IUPAC
delphinidin 3-O-rutinoside-7-O-glucoside	ChEBI
delphinidin 3-O-rutinoside-7-O-β-D-glucopyranoside	ChEBI

Citations