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CHEBI:204180 - Falconensin G

ChEBI IDCHEBI:204180
ChEBI NameFalconensin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O8
Net Charge0
Average Mass456.491
Monoisotopic Mass456.17842
SMILESC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(OC)cc3OC)[C@@H](OC(C)=O)[C@@H]2CO1
InChIInChI=1S/C25H28O8/c1-7-8-17-10-16-11-21(27)25(4,23(32-15(3)26)19(16)13-31-17)33-24(28)22-14(2)9-18(29-5)12-20(22)30-6/h7-12,19,23H,13H2,1-6H3/b8-7+/t19-,23+,25+/m1/s1
InChIKeyJUGXUOVAYWPMTI-MSSCEJGCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1248/cpb.44.2213)
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 G (CHEBI:204180) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
[(7R,8S,8aS)-8-acetyloxy-7-methyl-6-oxo-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-isochromen-7-yl] 2,4-dimethoxy-6-methylbenzoate
Manual XrefsDatabases
8988976ChemSpider