Erythro-1-(3',5'-dichloro-4'-methoxyphenyl)-1,2-propanediol (CHEBI:199028)

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CHEBI:199028 - Erythro-1-(3',5'-dichloro-4'-methoxyphenyl)-1,2-propanediol

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ChEBI ID	CHEBI:199028
ChEBI Name	Erythro-1-(3',5'-dichloro-4'-methoxyphenyl)-1,2-propanediol
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Submitter	MetaboLights
Downloads	Molfile

Formula	C10H12Cl2O3
Net Charge	0
Average Mass	251.109
Monoisotopic Mass	250.01635
SMILES	COc1c(Cl)cc([C@H](O)[C@@H](C)O)cc1Cl
InChI	InChI=1S/C10H12Cl2O3/c1-5(13)9(14)6-3-7(11)10(15-2)8(12)4-6/h3-5,9,13-14H,1-2H3/t5-,9-/m1/s1
InChIKey	MDZJODGNHBYYAE-MLUIRONXSA-N

Species of Metabolite	Component	Source	Comments
Bjerkandera (ncbitaxon:5330)	-	PubMed (9748376)

ChEBI Ontology

Outgoing Relation(s)
	Erythro-1-(3',5'-dichloro-4'-methoxyphenyl)-1,2-propanediol (CHEBI:199028) is a alkylbenzene (CHEBI:38976)

IUPAC Name
(1S,2R)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol

Manual Xrefs	Databases
78442469	ChemSpider