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CHEBI:168019 - (2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-p-coumaroylglucoside)

ChEBI IDCHEBI:168019
ChEBI Name(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-p-coumaroylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28O13
Net Charge0
Average Mass596.541
Monoisotopic Mass596.15299
SMILESO=C(/C=C/c1ccc(O)cc1)OCC1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)CC3=O)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H28O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-27(37)28(38)29(39)30(43-24)41-17-10-20(34)26-21(35)12-22(42-23(26)11-17)15-4-7-18(32)19(33)9-15/h1-11,22,24,27-34,37-39H,12-13H2/b8-3+/t22-,24?,27+,28-,29?,30+/m0/s1
InChIKeyOGVBUVNWHBXNFL-UNTJOBKYSA-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)
(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-p-coumaroylglucoside) (CHEBI:168019) is a flavonoids (CHEBI:72544)
(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-p-coumaroylglucoside) (CHEBI:168019) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
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