myricetin 3-O-[(6-O-caffeoyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside] (CHEBI:145204)

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CHEBI:145204 - myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside]

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ChEBI ID	CHEBI:145204
ChEBI Name	myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside]
Stars
ASCII Name	myricetin 3-O-[(6-O-caffeoyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside]
Definition	A glycosyloxyflavone that is myricetin 3-O-[β-D-glucosyl-(1→2)-α-L-rhamnoside] in which the hydroxy group at position 6 of the glucosyl group has been acylated by a caffeoyl [(1E)-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-3-yl] group.
Last Modified	28 October 2019
Submitter	Gareth Owen
Downloads	Molfile

Formula	C36H36O20
Net Charge	0
Average Mass	788.664
Monoisotopic Mass	788.17999
SMILES	C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChI	InChI=1S/C36H36O20/c1-12-25(44)30(49)34(56-35-31(50)29(48)27(46)22(54-35)11-51-23(43)5-3-13-2-4-16(38)17(39)6-13)36(52-12)55-33-28(47)24-18(40)9-15(37)10-21(24)53-32(33)14-7-19(41)26(45)20(42)8-14/h2-10,12,22,25,27,29-31,34-42,44-46,48-50H,11H2,1H3/b5-3+/t12-,22+,25-,27+,29-,30+,31+,34+,35-,36-/m0/s1
InChIKey	YHIHWLPOKDIYGF-ZLGVOOGTSA-N

ChEBI Ontology

Outgoing Relation(s)
	myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145204) has functional parent myricetin 3-O-[β-D-glucosyl-(1→2)-α-L-rhamnoside] (CHEBI:145201)
	myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145204) is a glycosyloxyflavone (CHEBI:50018)
	myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145204) is conjugate acid of myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−) (CHEBI:144428)
Incoming Relation(s)
	myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−) (CHEBI:144428) is conjugate base of myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145204)

IUPAC Name
5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}-α-L-mannopyranoside

Synonym	Source
5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl -2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}-α-L-rhamnopyranoside	IUPAC

Manual Xrefs	Databases
5J7	PDBeChem

Citations