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CHEBI:168240 - D-Vacciniin

ChEBI IDCHEBI:168240
ChEBI NameD-Vacciniin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O7
Net Charge0
Average Mass284.264
Monoisotopic Mass284.08960
SMILESO=C(OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1
InChIInChI=1S/C13H16O7/c14-9-8(20-13(18)11(16)10(9)15)6-19-12(17)7-4-2-1-3-5-7/h1-5,8-11,13-16,18H,6H2/t8-,9-,10+,11-,13+/m1/s1
InChIKeyMRDRXKCKIMVUHN-HMUNZLOLSA-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)
D-Vacciniin (CHEBI:168240) is a benzoate ester (CHEBI:36054)
IUPAC Name 
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl benzoate
Manual XrefsDatabases
30777261ChemSpider
HMDB0038492HMDB