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CHEBI:206685 - Vaccinol Q

ChEBI IDCHEBI:206685
ChEBI NameVaccinol Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O6
Net Charge0
Average Mass340.416
Monoisotopic Mass340.18859
SMILESCOC(Cc1ccc(O)c2c1[C@@H](C[C@@H](O)[C@H](C)O)OC2)C(C)(C)O
InChIInChI=1S/C18H28O6/c1-10(19)14(21)8-15-17-11(7-16(23-4)18(2,3)22)5-6-13(20)12(17)9-24-15/h5-6,10,14-16,19-22H,7-9H2,1-4H3/t10-,14+,15+,16?/m0/s1
InChIKeyFTRQCIMMGHWQLZ-VVCCJLAWSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (28625729)
ChEBI Ontology
Outgoing Relation(s)
Vaccinol Q (CHEBI:206685) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(2R,3S)-1-[(1R)-4-hydroxy-7-(3-hydroxy-2-methoxy-3-methylbutyl)-1,3-dihydro-2-benzouran-1-yl]butane-2,3-diol
Manual XrefsDatabases
62285132ChemSpider