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CHEBI:204131 - Salfredin B aldehyde hemiacetal

ChEBI IDCHEBI:204131
ChEBI NameSalfredin B aldehyde hemiacetal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O5
Net Charge0
Average Mass248.234
Monoisotopic Mass248.06847
SMILESCC1(C)C=Cc2c(cc3c(c2O)C(=O)O[C@@H]3O)O1
InChIInChI=1S/C13H12O5/c1-13(2)4-3-6-8(18-13)5-7-9(10(6)14)12(16)17-11(7)15/h3-5,11,14-15H,1-2H3/t11-/m0/s1
InChIKeyWUKNVCALDHHHJU-NSHDSACASA-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 hemiacetal (CHEBI:204131) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
5,8-dihydroxy-2,2-dimethyl-8H-uro[3,4-g]chromen-6-one
Manual XrefsDatabases
78435958ChemSpider