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CHEBI:168228 - Vitexin 2''-O-rhamnoside 6''-acetate

ChEBI IDCHEBI:168228
ChEBI NameVitexin 2''-O-rhamnoside 6''-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O15
Net Charge0
Average Mass620.560
Monoisotopic Mass620.17412
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O[C@@H](COC(C)=O)[C@@H](O)C(O)C1O[C@@H]1O[C@@H](C)[C@H](O)C(O)C1O
InChIInChI=1S/C29H32O15/c1-10-21(35)23(37)25(39)29(41-10)44-28-24(38)22(36)18(9-40-11(2)30)43-27(28)20-15(33)7-14(32)19-16(34)8-17(42-26(19)20)12-3-5-13(31)6-4-12/h3-8,10,18,21-25,27-29,31-33,35-39H,9H2,1-2H3/t10-,18-,21-,22+,23?,24?,25?,27-,28?,29-/m0/s1
InChIKeyLYJOXDXHRNOBBV-DUYZGQHQSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Vitexin 2''-O-rhamnoside 6''-acetate (CHEBI:168228) is a C-glycosyl compound (CHEBI:20857)
Vitexin 2''-O-rhamnoside 6''-acetate (CHEBI:168228) is a flavonoids (CHEBI:72544)
IUPAC Name 
[(2S,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3,4-dihydroxy-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
LMPK12110253LIPID MAPS
24843307ChemSpider