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CHEBI:199316 - Falconensin D

ChEBI IDCHEBI:199316
ChEBI NameFalconensin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28Cl2O8
Net Charge0
Average Mass527.397
Monoisotopic Mass526.11612
SMILESCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)c(Cl)c(OC)c(Cl)c3OC)[C@@H](OC(C)=O)[C@@H]2CO1
InChIInChI=1S/C25H28Cl2O8/c1-7-8-15-9-14-10-17(29)25(4,23(34-13(3)28)16(14)11-33-15)35-24(30)18-12(2)19(26)22(32-6)20(27)21(18)31-5/h9-10,16,23H,7-8,11H2,1-6H3/t16-,23+,25+/m1/s1
InChIKeyGJJRTDHSSQUZNO-OYMMJLNRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1248/cpb.40.3142)
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 D (CHEBI:199316) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
[(7R,8S,8aS)-8-acetyloxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 3,5-dichloro-2,4-dimethoxy-6-methylbenzoate
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8545069ChemSpider