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CHEBI:224330 - Salfredin C2

ChEBI IDCHEBI:224330
ChEBI NameSalfredin C2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H13NO8
Net Charge0
Average Mass335.268
Monoisotopic Mass335.06412
SMILESC[C@@H](C(=O)O)[C@@H]1Cc2c(cc3c(c2O)C(=O)N(CC(=O)O)C3=O)O1
InChIInChI=1S/C15H13NO8/c1-5(15(22)23)8-2-6-9(24-8)3-7-11(12(6)19)14(21)16(13(7)20)4-10(17)18/h3,5,8,19H,2,4H2,1H3,(H,17,18)(H,22,23)/t5-,8+/m1/s1
InChIKeySTECRJVPIXRLSR-XRGYYRRGSA-N
Species of MetaboliteComponentSourceComments
Crucibulum (ncbitaxon:68774) - PubMed (7622427)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Salfredin C2 (CHEBI:224330) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(2R)-2-[(2S)-6-(carboxymethyl)-4-hydroxy-5,7-dioxo-2,3-dihydrouro[3,2-]isoindol-2-yl]propanoic acid
Manual XrefsDatabases
8149777ChemSpider