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CHEBI:213765 - Salfredin 8

ChEBI IDCHEBI:213765
ChEBI NameSalfredin 8
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21NO5
Net Charge0
Average Mass367.401
Monoisotopic Mass367.14197
SMILESC[C@@H](C(=O)O)C1Cc2c(cc3c(c2O)CN(CCc2ccccc2)C3=O)O1
InChIInChI=1S/C21H21NO5/c1-12(21(25)26)17-10-15-18(27-17)9-14-16(19(15)23)11-22(20(14)24)8-7-13-5-3-2-4-6-13/h2-6,9,12,17,23H,7-8,10-11H2,1H3,(H,25,26)/t12-,17?/m1/s1
InChIKeyDRHXVHUEEOCNMZ-MTATWXBHSA-N
Species of MetaboliteComponentSourceComments
Crucibulum (ncbitaxon:68774) - DOI (10.1002/(sici)1521-4028(199912)39:5/6<357::aid-jobm357>3.0.co;2-8)
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 8 (CHEBI:213765) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(2R)-2-[4-hydroxy-7-oxo-6-(2-phenylethyl)-3,5-dihydro-2H-uro[2,3-]isoindol-2-yl]propanoic acid
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78442779ChemSpider