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CHEBI:209982 - Falconensin S

ChEBI IDCHEBI:209982
ChEBI NameFalconensin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O8
Net Charge0
Average Mass442.464
Monoisotopic Mass442.16277
SMILESCC=CC1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(O)cc3OC)[C@@H](OC(C)=O)[C@@H]2CO1
InChIInChI=1S/C24H26O8/c1-6-7-17-9-15-10-20(27)24(4,22(31-14(3)25)18(15)12-30-17)32-23(28)21-13(2)8-16(26)11-19(21)29-5/h6-11,18,22,26H,12H2,1-5H3/t18-,22+,24+/m1/s1
InChIKeyVFVSYHHUZDZNLU-OUOWLKGYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus falconensis (ncbitaxon:1810910) - PubMed (32290208)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Falconensin S (CHEBI:209982) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
[(7R,8S,8aS)-8-acetyloxy-7-methyl-6-oxo-3-prop-1-enyl-8,8a-dihydro-1H-isochromen-7-yl] 4-hydroxy-2-methoxy-6-methylbenzoate