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CHEBI:169563 - 3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol

ChEBI IDCHEBI:169563
ChEBI Name3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H13ClO4
Net Charge0
Average Mass232.663
Monoisotopic Mass232.05024
SMILESCOc1cc(C(O)C(O)CCl)ccc1O
InChIInChI=1S/C10H13ClO4/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,10,12-14H,5H2,1H3
InChIKeyYGHRQWKTVXMGDU-UHFFFAOYSA-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)
3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol (CHEBI:169563) is a methoxybenzenes (CHEBI:51683)
3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol (CHEBI:169563) is a phenols (CHEBI:33853)
IUPAC Name 
3-chloro-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol
Manual XrefsDatabases
HMDB0034633HMDB
28549480ChemSpider