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CHEBI:223185 - Phexandiol A

ChEBI IDCHEBI:223185
ChEBI NamePhexandiol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O3
Net Charge0
Average Mass210.273
Monoisotopic Mass210.12559
SMILESCCCC[C@@H](O)[C@H](O)c1ccccc1O
InChIInChI=1S/C12H18O3/c1-2-3-7-11(14)12(15)9-6-4-5-8-10(9)13/h4-6,8,11-15H,2-3,7H2,1H3/t11-,12-/m1/s1
InChIKeyCLHHKYFJSMLSRF-VXGBXAGGSA-N
ChEBI Ontology
Outgoing Relation(s)
Phexandiol A (CHEBI:223185) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(1R,2R)-1-(2-hydroxyphenyl)hexane-1,2-diol
Manual XrefsDatabases
128436781ChemSpider