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CHEBI:207187 - Xylarinol B

ChEBI IDCHEBI:207187
ChEBI NameXylarinol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESCC(O)[C@@H]1C[C@H](O)c2cccc(O)c2CO1
InChIInChI=1S/C12H16O4/c1-7(13)12-5-11(15)8-3-2-4-10(14)9(8)6-16-12/h2-4,7,11-15H,5-6H2,1H3/t7?,11-,12-/m0/s1
InChIKeyVWZHVDDMUSWGIT-JCADVYKZSA-N
Species of MetaboliteComponentSourceComments
Xylaria polymorpha (ncbitaxon:77046) - PubMed (19148206)
ChEBI Ontology
Outgoing Relation(s)
Xylarinol B (CHEBI:207187) is a oxacycle (CHEBI:38104)
IUPAC Name 
(3S,5S)-3-(1-hydroxyethyl)-1,3,4,5-tetrahydro-2-benzoxepine-5,9-diol
Manual XrefsDatabases
74178345ChemSpider