1-[2′,3′-dihydroxy-5′-(hydroxymethyl)phenyl]-3-methyl-but-2-ene (CHEBI:219412)

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CHEBI:219412 - 1-[2′,3′-dihydroxy-5′-(hydroxymethyl)phenyl]-3-methyl-but-2-ene

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ChEBI ID	CHEBI:219412
ChEBI Name	1-[2′,3′-dihydroxy-5′-(hydroxymethyl)phenyl]-3-methyl-but-2-ene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H16O3
Net Charge	0
Average Mass	208.257
Monoisotopic Mass	208.10994
SMILES	CC(C)=CCc1cc(CO)cc(O)c1O
InChI	InChI=1S/C12H16O3/c1-8(2)3-4-10-5-9(7-13)6-11(14)12(10)15/h3,5-6,13-15H,4,7H2,1-2H3
InChIKey	IGPVDMRGJYQIFC-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
[Verticillium biguttatum (ncbitaxon:468616)	-	DOI (10.1016/0031-9422(95)00165-4)

ChEBI Ontology

Outgoing Relation(s)
	1-[2′,3′-dihydroxy-5′-(hydroxymethyl)phenyl]-3-methyl-but-2-ene (CHEBI:219412) is a catechols (CHEBI:33566)

IUPAC Name
5-(hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol

Manual Xrefs	Databases
8166209	ChemSpider