CHEBI:199316 - Falconensin D

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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 D
ChEBI ID CHEBI:199316
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28Cl2O8
Net Charge 0
Average Mass 527.390
Monoisotopic Mass 526.11612
InChI InChI=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
InChIKey GJJRTDHSSQUZNO-OYMMJLNRSA-N
SMILES ClC1=C(OC)C(Cl)=C(C)C(=C1OC)C(=O)O[C@]2(C(=O)C=C3C=C(CCC)OC[C@H]3[C@@H]2OC(=O)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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
Manual Xref Database
8545069 ChemSpider
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