CHEBI:192122 - 2-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid

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ChEBI Name 2-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid
ChEBI ID CHEBI:192122
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16O5
Net Charge 0
Average Mass 252.266
Monoisotopic Mass 252.09977
InChI InChI=1S/C13H16O5/c1-7(2)3-4-8-10(14)6-11(15)9(13(8)18)5-12(16)17/h3,6,14-15,18H,4-5H2,1-2H3,(H,16,17)
InChIKey JGBMKZWTRNSXQV-UHFFFAOYSA-N
SMILES OC1=C(CC=C(C)C)C(O)=CC(O)=C1CC(O)=O
Metabolite of Species Details
Marine plankton environmental sample (NCBI:txid632957) Found in endometabolome (MTBLS:000125). 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid (CHEBI:192122) is a phenols (CHEBI:33853)
2-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid (CHEBI:192122) is a phenylacetic acids (CHEBI:25978)
IUPAC Name
2-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]acetic acid
Manual Xrefs Databases
74851719 ChemSpider
HMDB0125460 HMDB
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