Murranofuran A (CHEBI:206694)

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CHEBI:206694 - Murranofuran A

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ChEBI ID	CHEBI:206694
ChEBI Name	Murranofuran A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H24O6
Net Charge	0
Average Mass	312.362
Monoisotopic Mass	312.15729
SMILES	CCC(C)(C(=O)OC)C(=O)C1=CO[C@H](OC)[C@H]1C(C)C(C)=O
InChI	InChI=1S/C16H24O6/c1-7-16(4,15(19)21-6)13(18)11-8-22-14(20-5)12(11)9(2)10(3)17/h8-9,12,14H,7H2,1-6H3/t9?,12-,14-,16?/m0/s1
InChIKey	BIKCTBNJNKMIAV-SVEZSEBRSA-N

Species of Metabolite	Component	Source	Comments
Curvularia (ncbitaxon:5502)	-	PubMed (28195475)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Murranofuran A (CHEBI:206694) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
methyl 2-[(2S,3S)-2-methoxy-3-(3-oxobutan-2-yl)-2,3-dihydrouran-4-carbonyl]-2-methylbutanoate

Manual Xrefs	Databases
78438910	ChemSpider