Falconensin O (CHEBI:209959)

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CHEBI:209959 - Falconensin O

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ChEBI ID	CHEBI:209959
ChEBI Name	Falconensin O
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H24Cl2O8
Net Charge	0
Average Mass	511.354
Monoisotopic Mass	510.08482
SMILES	CC=CC1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)c(Cl)c(O)c(Cl)c3OC)[C@@H](OC(C)=O)[C@@H]2CO1
InChI	InChI=1S/C24H24Cl2O8/c1-6-7-14-8-13-9-16(28)24(4,22(33-12(3)27)15(13)10-32-14)34-23(30)17-11(2)18(25)20(29)19(26)21(17)31-5/h6-9,15,22,29H,10H2,1-5H3/t15-,22+,24+/m1/s1
InChIKey	YRENAKNRAFGLIY-LIAVLPADSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus falconensis (ncbitaxon:1810910)	-	PubMed (32290208)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Falconensin O (CHEBI:209959) 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] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate