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CHEBI:168966 - (+/-)-threo-Anethole glycol

ChEBI IDCHEBI:168966
ChEBI Name(+/-)-threo-Anethole glycol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O3
Net Charge0
Average Mass182.219
Monoisotopic Mass182.09429
SMILESCOc1ccc([C@H](O)[C@H](C)O)cc1
InChIInChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3/t7-,10+/m0/s1
InChIKeyMRDZSBVJWOXBRW-OIBJUYFYSA-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)
(+/-)-threo-Anethole glycol (CHEBI:168966) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
(1S,2S)-1-(4-methoxyphenyl)propane-1,2-diol
Manual XrefsDatabases
HMDB0032607HMDB
10276083ChemSpider