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

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ChEBI Name 3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol
ChEBI ID CHEBI:169563
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H13ClO4
Net Charge 0
Average Mass 232.660
Monoisotopic Mass 232.05024
InChI InChI=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
InChIKey YGHRQWKTVXMGDU-UHFFFAOYSA-N
SMILES ClCC(O)C(O)C1=CC(OC)=C(O)C=C1
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
28549480 ChemSpider
HMDB0034633 HMDB
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