CHEBI:193415 - 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid

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ChEBI Name 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid
ChEBI ID CHEBI:193415
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O5
Net Charge 0
Average Mass 266.293
Monoisotopic Mass 266.11542
InChI InChI=1S/C14H18O5/c1-8(2)4-5-9-11(15)7-12(16)10(6-13(17)18)14(9)19-3/h4,7,15-16H,5-6H2,1-3H3,(H,17,18)
InChIKey CRNYOXYZHUISBD-UHFFFAOYSA-N
SMILES O(C1=C(CC=C(C)C)C(O)=CC(O)=C1CC(O)=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid (CHEBI:193415) is a phenols (CHEBI:33853)
2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid (CHEBI:193415) is a phenylacetic acids (CHEBI:25978)
IUPAC Name
2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]acetic acid
Manual Xref Database
74851714 ChemSpider
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