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CHEBI:169301 - Viniferal

ChEBI IDCHEBI:169301
ChEBI NameViniferal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H26O8
Net Charge0
Average Mass574.585
Monoisotopic Mass574.16277
SMILES[H][C@@]1(c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)c2cc(C=O)ccc2O[C@H]1c1ccc(O)cc1
InChIInChI=1S/C35H26O8/c36-17-18-1-10-29-27(11-18)32(35(42-29)20-4-8-23(38)9-5-20)28-15-26(41)16-30-33(28)31(21-12-24(39)14-25(40)13-21)34(43-30)19-2-6-22(37)7-3-19/h1-17,31-32,34-35,37-41H/t31-,32-,34+,35-/m0/s1
InChIKeyDHTHKPNODOWMKF-VPIGGYNKSA-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)
Viniferal (CHEBI:169301) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2R,3R)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-5-carbaldehyde
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