myricetin 3-O-[(6-O-caffeoyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside](1-) (CHEBI:144428)

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CHEBI:144428 - myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−)

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ChEBI ID	CHEBI:144428
ChEBI Name	myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−)
Stars
ASCII Name	myricetin 3-O-[(6-O-caffeoyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside](1-)
Definition	A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside]. The major species at pH 7.3.
Last Modified	28 October 2019
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C36H35O20
Net Charge	-1
Average Mass	787.656
Monoisotopic Mass	787.17272
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/p-1/b5-3+/t12-,22+,25-,27+,29-,30+,31+,34+,35-,36-/m0/s1
InChIKey	YHIHWLPOKDIYGF-ZLGVOOGTSA-M

ChEBI Ontology

Outgoing Relation(s)
	myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−) (CHEBI:144428) is a flavonoid oxoanion (CHEBI:60038)
	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)
Incoming Relation(s)
	montbretin A (CHEBI:144419) has functional parent myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−) (CHEBI:144428)
	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)

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

Synonyms	Source
mini-MbA	SUBMITTER
mini-montbretin A	SUBMITTER

UniProt Name	Source
myricetin 3-O-[(6-O-(E)-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside]	UniProt

Citations