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

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ChEBI Name 2-(5-hydroxy-4-methylpentyl)-2-methylbenzo[d][1,3]dioxole-5-carboxylic acid
ChEBI ID CHEBI:210967
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H20O5
Net Charge 0
Average Mass 280.320
Monoisotopic Mass 280.13107
InChI InChI=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)
InChIKey JSNPDAUBFGLASJ-UHFFFAOYSA-N
SMILES O=C(O)C1=CC=2OC(CCCC(CO)C)(C)OC2C=C1
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
73950476 ChemSpider
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