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CHEBI:168665 - Viscutin 2

ChEBI IDCHEBI:168665
ChEBI NameViscutin 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H28O12
Net Charge0
Average Mass568.531
Monoisotopic Mass568.15808
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](Oc2cc(O)cc3c2CC[C@@H](c2ccc(O)c(O)c2)O3)OC[C@@H](O)[C@@H]1O
InChIInChI=1S/C29H28O12/c30-16-11-24-17(4-7-23(39-24)15-3-6-19(32)21(34)10-15)25(12-16)40-29-28(27(37)22(35)13-38-29)41-26(36)8-2-14-1-5-18(31)20(33)9-14/h1-3,5-6,8-12,22-23,27-35,37H,4,7,13H2/b8-2+/t22-,23+,27+,28?,29+/m1/s1
InChIKeyQTZATSRJHQIPRH-PXEPPPPFSA-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)
Viscutin 2 (CHEBI:168665) is a flavonoids (CHEBI:72544)
Viscutin 2 (CHEBI:168665) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,4S,5R)-2-[[(2S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-5-yl]oxy]-4,5-dihydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
LMPK12020266LIPID MAPS
24842659ChemSpider