Favolasin K (CHEBI:226000)

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CHEBI:226000 - Favolasin K

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ChEBI ID	CHEBI:226000
ChEBI Name	Favolasin K
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H32O6
Net Charge	0
Average Mass	440.536
Monoisotopic Mass	440.21989
SMILES	C=CC(C)(C)O[C@H]1COc2ccc(-c3cc(OC)c(C)c(C(=O)OC)c3)cc2OC1(C)C
InChI	InChI=1S/C26H32O6/c1-9-25(3,4)32-23-15-30-20-11-10-17(13-22(20)31-26(23,5)6)18-12-19(24(27)29-8)16(2)21(14-18)28-7/h9-14,23H,1,15H2,2-8H3/t23-/m0/s1
InChIKey	YWJPOHWROSKQSO-QHCPKHFHSA-N

Species of Metabolite	Component	Source	Comments
Favolaschia (ncbitaxon:139071)	-	PubMed (32193929)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Favolasin K (CHEBI:226000) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name
methyl 5-[(3S)-4,4-dimethyl-3-(2-methylbut-3-en-2-yloxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-3-methoxy-2-methylbenzoate