Salfredin C1 (CHEBI:202634)

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CHEBI:202634 - Salfredin C1

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ChEBI ID	CHEBI:202634
ChEBI Name	Salfredin C1
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Submitter	MetaboLights
Downloads	Molfile

Formula	C13H11NO6
Net Charge	0
Average Mass	277.232
Monoisotopic Mass	277.05864
SMILES	C[C@@H](C(=O)O)[C@@H]1Cc2c(cc3c(c2O)C(=O)NC3=O)O1
InChI	InChI=1S/C13H11NO6/c1-4(13(18)19)7-2-5-8(20-7)3-6-9(10(5)15)12(17)14-11(6)16/h3-4,7,15H,2H2,1H3,(H,18,19)(H,14,16,17)/t4-,7+/m1/s1
InChIKey	RVAJKUWZAXLXGY-FBCQKBJTSA-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 C1 (CHEBI:202634) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name
(2R)-2-[(2S)-4-hydroxy-5,7-dioxo-2,3-dihydrouro[3,2-]isoindol-2-yl]propanoic acid

Manual Xrefs	Databases
9952932	ChemSpider