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CHEBI:210967 - 2-(5-hydroxy-4-methylpentyl)-2-methylbenzo[d][1,3]dioxole-5-carboxylic acid

ChEBI IDCHEBI:210967
ChEBI Name2-(5-hydroxy-4-methylpentyl)-2-methylbenzo[d][1,3]dioxole-5-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCC(CO)CCCC1(C)Oc2ccc(C(=O)O)cc2O1
InChIInChI=1S/C15H20O5/c1-10(9-16)4-3-7-15(2)19-12-6-5-11(14(17)18)8-13(12)20-15/h5-6,8,10,16H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyJSNPDAUBFGLASJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30946944)
ChEBI Ontology
Outgoing Relation(s)
2-(5-hydroxy-4-methylpentyl)-2-methylbenzo[d][1,3]dioxole-5-carboxylic acid (CHEBI:210967) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
2-(5-hydroxy-4-methylpentyl)-2-methyl-1,3-benzodioxole-5-carboxylic acid
Manual XrefsDatabases
73950476ChemSpider