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

ChEBI IDCHEBI:68220
ChEBI Name(+)-(7S)-7-O-methylsydonic acid
Stars
ASCII Name(+)-(7S)-7-O-methylsydonic acid
DefinitionA sesquiterpenoid that is the 7-O-methyl derivative of (+)-(7S)-sydonic acid. An Aspergillus metabolite isolated from the sea fan derived fungus Aspergillus sydowii.
Last Modified13 January 2014
DownloadsMolfile
FormulaC16H24O4
Net Charge0
Average Mass280.364
Monoisotopic Mass280.16746
SMILESCO[C@@](C)(CCCC(C)C)c1ccc(C(=O)O)cc1O
InChIInChI=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
InChIKeyWVQKVHAEEDYXPI-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sydowii (ncbitaxon:75750) - PubMed (21718031) Ethyl acetate extract of culture broth, fungus isolated from a sea fan, Annella sp. Strain: PSU F154
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
(+)-(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 NumbersSources
Reaxys:21708356Reaxys
Citations