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CHEBI:213465 - Salfredin B aldehyde

ChEBI IDCHEBI:213465
ChEBI NameSalfredin B aldehyde
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O5
Net Charge0
Average Mass248.234
Monoisotopic Mass248.06847
SMILESCC1(C)C=Cc2c(cc(C=O)c(C(=O)O)c2O)O1
InChIInChI=1S/C13H12O5/c1-13(2)4-3-8-9(18-13)5-7(6-14)10(11(8)15)12(16)17/h3-6,15H,1-2H3,(H,16,17)
InChIKeyTVKHORSYYVWKLQ-UHFFFAOYSA-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)
ChEBI Ontology
Outgoing Relation(s)
Salfredin B aldehyde (CHEBI:213465) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
7-ormyl-5-hydroxy-2,2-dimethylchromene-6-carboxylic acid
Manual XrefsDatabases
78435995ChemSpider