CHEBI:209982 - Falconensin S

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Falconensin S
ChEBI ID CHEBI:209982
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H26O8
Net Charge 0
Average Mass 442.464
Monoisotopic Mass 442.16277
InChI InChI=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
InChIKey VFVSYHHUZDZNLU-OUOWLKGYSA-N
SMILES O=C1C=C2C=C(OC[C@H]2[C@@H]([C@]1(OC(=O)C3=C(OC)C=C(O)C=C3C)C)OC(=O)C)C=CC
Metabolite of Species Details
Aspergillus falconensis (NCBI:txid1810910) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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