Favolasin G (CHEBI:225995)

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CHEBI:225995 - Favolasin G

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ChEBI ID	CHEBI:225995
ChEBI Name	Favolasin G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H32O6
Net Charge	0
Average Mass	440.536
Monoisotopic Mass	440.21989
SMILES	COC(=O)c1cc(-c2ccc3c(c2)OC(C)(C)[C@@H](OCC=C(C)C)CO3)cc(OC)c1C
InChI	InChI=1S/C26H32O6/c1-16(2)10-11-30-24-15-31-21-9-8-18(13-23(21)32-26(24,4)5)19-12-20(25(27)29-7)17(3)22(14-19)28-6/h8-10,12-14,24H,11,15H2,1-7H3/t24-/m0/s1
InChIKey	GEGQOOWXXWJCIC-DEOSSOPVSA-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 G (CHEBI:225995) is a methoxybenzoic acid (CHEBI:25238)

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