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CHEBI:68223 - (+)-(7S)-sydonic acid

ChEBI IDCHEBI:68223
ChEBI Name(+)-(7S)-sydonic acid
Stars
ASCII Name(+)-(7S)-sydonic acid
DefinitionA sesquiterpenoid that is benzoic acid substituted by a hydroxy group at position 3 and a (2S)-2-hydroxy-6-methylheptan-2-yl group at position 4. It has been isolated from the sea fan derived fungus Aspergillus sydowii.
Last Modified13 January 2014
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESCC(C)CCC[C@](C)(O)c1ccc(C(=O)O)cc1O
InChIInChI=1S/C15H22O4/c1-10(2)5-4-8-15(3,19)12-7-6-11(14(17)18)9-13(12)16/h6-7,9-10,16,19H,4-5,8H2,1-3H3,(H,17,18)/t15-/m0/s1
InChIKeyVZXPWVDKXCYHSI-HNNXBMFYSA-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
Aspergillus sp. (ncbitaxon:5065) - PubMed (21718031)
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)-sydonic acid (CHEBI:68223) has role Aspergillus metabolite (CHEBI:76956)
(+)-(7S)-sydonic acid (CHEBI:68223) is a aromatic alcohol (CHEBI:33854)
(+)-(7S)-sydonic acid (CHEBI:68223) is a monohydroxybenzoic acid (CHEBI:25389)
(+)-(7S)-sydonic acid (CHEBI:68223) is a sesquiterpenoid (CHEBI:26658)
Incoming Relation(s)
(+)-(7S)-7-O-methylsydonic acid (CHEBI:68220) has functional parent (+)-(7S)-sydonic acid (CHEBI:68223)
IUPAC Name 
3-hydroxy-4-[(2S)-2-hydroxy-6-methylheptan-2-yl]benzoic acid
Registry NumbersSources
Reaxys:19158335Reaxys
Citations