CHEBI:169520 - Vicenin-1 6''-O-acetate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Vicenin-1 6''-O-acetate
ChEBI ID CHEBI:169520
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H30O15
Net Charge 0
Average Mass 606.533
Monoisotopic Mass 606.15847
InChI InChI=1S/C28H30O15/c1-9(29)40-8-15-20(34)23(37)25(39)28(43-15)18-22(36)17(27-24(38)19(33)13(32)7-41-27)21(35)16-12(31)6-14(42-26(16)18)10-2-4-11(30)5-3-10/h2-6,13,15,19-20,23-25,27-28,30,32-39H,7-8H2,1H3/t13-,15?,19+,20-,23+,24?,25?,27+,28+/m1/s1
InChIKey AIQCDEJOKQHKMO-MSLHOYQASA-N
SMILES O1[C@](C(O)[C@@H](O)[C@H](O)C1COC(=O)C)(C=2C(O)=C([C@@]3(OC[C@@H](O)[C@H](O)C3O)[H])C(O)=C4C2OC(=CC4=O)C5=CC=C(O)C=C5)[H]
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Vicenin-1 6''-O-acetate (CHEBI:169520) is a C-glycosyl compound (CHEBI:20857)
Vicenin-1 6''-O-acetate (CHEBI:169520) is a flavonoids (CHEBI:72544)
IUPAC Name
[(3S,4R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual Xrefs Databases
24843337 ChemSpider
LMPK12110283 LIPID MAPS
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