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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (+)-(7S)-sydonic acid
ChEBI ID CHEBI:68223
ChEBI ASCII Name (+)-(7S)-sydonic acid
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H22O4
Net Charge 0
Average Mass 266.33280
Monoisotopic Mass 266.15181
InChI InChI=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
InChIKey VZXPWVDKXCYHSI-HNNXBMFYSA-N
SMILES CC(C)CCC[C@](C)(O)c1ccc(cc1O)C(O)=O
Metabolite of Species Details
Aspergillus sp. (NCBI:txid5065) See: PubMed
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)-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 (+)-(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 Number Type Source
19158335 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21718031 PubMed citation Europe PMC
Last Modified
13 January 2014