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CHEBI:174776 - (S)-Angelicain

ChEBI IDCHEBI:174776
ChEBI Name(S)-Angelicain
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SubmitterMetaboLights
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FormulaC15H16O6
Net Charge0
Average Mass292.287
Monoisotopic Mass292.09469
SMILESCC(C)(O)C1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1
InChIInChI=1S/C15H16O6/c1-15(2,19)12-4-8-10(21-12)5-11-13(14(8)18)9(17)3-7(6-16)20-11/h3,5,12,16,18-19H,4,6H2,1-2H3
InChIKeyFHCHSXPHLRBEBR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-Angelicain (CHEBI:174776) is a organic heterotricyclic compound (CHEBI:26979)
(S)-Angelicain (CHEBI:174776) is a oxacycle (CHEBI:38104)
IUPAC Name 
4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-5-one
Manual XrefsDatabases
HMDB0030120HMDB
9197863ChemSpider