Salfredin A7 (CHEBI:223047)

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CHEBI:223047 - Salfredin A7

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ChEBI ID	CHEBI:223047
ChEBI Name	Salfredin A7
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H17NO7
Net Charge	0
Average Mass	335.312
Monoisotopic Mass	335.10050
SMILES	CC(C(=O)O)N1Cc2c(cc3c(c2O)C[C@@H]([C@@H](C)C(=O)O)O3)C1=O
InChI	InChI=1S/C16H17NO7/c1-6(15(20)21)11-4-9-12(24-11)3-8-10(13(9)18)5-17(14(8)19)7(2)16(22)23/h3,6-7,11,18H,4-5H2,1-2H3,(H,20,21)(H,22,23)/t6-,7?,11+/m1/s1
InChIKey	NMWBQDUMSFMKDB-XGLFCGLISA-N

Species of Metabolite	Component	Source	Comments
Crucibulum (ncbitaxon:68774)	-	PubMed (7622427)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Salfredin A7 (CHEBI:223047) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name
(2R)-2-[(2S)-6-(1-carboxyethyl)-4-hydroxy-7-oxo-3,5-dihydro-2H-uro[2,3-]isoindol-2-yl]propanoic acid

Manual Xrefs	Databases
8580129	ChemSpider