Obafluorin (CHEBI:199965)

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CHEBI:199965 - Obafluorin

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ChEBI ID	CHEBI:199965
ChEBI Name	Obafluorin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H14N2O7
Net Charge	0
Average Mass	358.306
Monoisotopic Mass	358.08010
SMILES	O=C(N[C@@H]1C(=O)O[C@@H]1Cc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1O
InChI	InChI=1S/C17H14N2O7/c20-12-3-1-2-11(15(12)21)16(22)18-14-13(26-17(14)23)8-9-4-6-10(7-5-9)19(24)25/h1-7,13-14,20-21H,8H2,(H,18,22)/t13-,14+/m1/s1
InChIKey	AINNQKIVZOTQBB-KGLIPLIRSA-N

Species of Metabolite	Component	Source	Comments
Pseudomonas (ncbitaxon:286)	-	DOI (10.1021/jo00350a010)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Obafluorin (CHEBI:199965) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
2,3-dihydroxy-N-[(2R,3S)-2-[(4-nitrophenyl)methyl]-4-oxooxetan-3-yl]benzamide

Manual Xrefs	Databases
129096	ChemSpider