CHEBI:68220 - (+)-(7S)-7-O-methylsydonic acid

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ChEBI Name (+)-(7S)-7-O-methylsydonic acid
ChEBI ID CHEBI:68220
ChEBI ASCII Name (+)-(7S)-7-O-methylsydonic acid
Definition A sesquiterpenoid that is the 7-O-methyl derivative of (+)-(7S)-sydonic acid. An Aspergillus metabolite isolated from the sea fan derived fungus Aspergillus sydowii.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H24O4
Net Charge 0
Average Mass 280.35940
Monoisotopic Mass 280.16746
InChI InChI=1S/C16H24O4/c1-11(2)6-5-9-16(3,20-4)13-8-7-12(15(18)19)10-14(13)17/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,18,19)/t16-/m0/s1
InChIKey WVQKVHAEEDYXPI-INIZCTEOSA-N
SMILES CO[C@@](C)(CCCC(C)C)c1ccc(cc1O)C(O)=O
Metabolite of Species Details
Aspergillus sydowii (NCBI:txid75750) Ethyl acetate extract of culture broth, fungus isolated from a sea fan, Annella sp. of strain PSU F154 See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-(7S)-7-O-methylsydonic acid (CHEBI:68220) has functional parent (+)-(7S)-sydonic acid (CHEBI:68223)
(+)-(7S)-7-O-methylsydonic acid (CHEBI:68220) has role Aspergillus metabolite (CHEBI:76956)
(+)-(7S)-7-O-methylsydonic acid (CHEBI:68220) is a ether (CHEBI:25698)
(+)-(7S)-7-O-methylsydonic acid (CHEBI:68220) is a monohydroxybenzoic acid (CHEBI:25389)
(+)-(7S)-7-O-methylsydonic acid (CHEBI:68220) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
3-hydroxy-4-[(2S)-2-methoxy-6-methylheptan-2-yl]benzoic acid
Registry Number Type Source
21708356 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21718031 PubMed citation Europe PMC
Last Modified
13 January 2014