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CHEBI:223163 - Phexandiol B

ChEBI IDCHEBI:223163
ChEBI NamePhexandiol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O3
Net Charge0
Average Mass208.257
Monoisotopic Mass208.10994
SMILESCCC[C@@H](O)[C@@H]1Oc2ccccc2[C@@H]1O
InChIInChI=1S/C12H16O3/c1-2-5-9(13)12-11(14)8-6-3-4-7-10(8)15-12/h3-4,6-7,9,11-14H,2,5H2,1H3/t9-,11+,12+/m1/s1
InChIKeyKNPWCQKBHQBQCL-USWWRNFRSA-N
ChEBI Ontology
Outgoing Relation(s)
Phexandiol B (CHEBI:223163) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(2S,3S)-2-[(1R)-1-hydroxybutyl]-2,3-dihydro-1-benzouran-3-ol