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CHEBI:203428 - Daldinin A

ChEBI IDCHEBI:203428
ChEBI NameDaldinin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O5
Net Charge0
Average Mass278.304
Monoisotopic Mass278.11542
SMILESCC[C@H]1OC(=O)c2c1ccc1c2O[C@@H](C(C)(C)O)[C@H]1O
InChIInChI=1S/C15H18O5/c1-4-9-7-5-6-8-11(16)13(15(2,3)18)20-12(8)10(7)14(17)19-9/h5-6,9,11,13,16,18H,4H2,1-3H3/t9-,11+,13-/m1/s1
InChIKeyZJXXJTICUDDUSG-SUZMYJTESA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - PubMed (18503188)
ChEBI Ontology
Outgoing Relation(s)
Daldinin A (CHEBI:203428) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-uro[3,4-g][1]benzouran-8-one
Manual XrefsDatabases
78440945ChemSpider