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CHEBI:181228 - (3S,3Ar,4S,9aS,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5-tetrahydroazuleno[4,5-b]furan-2,7(9aH,9bH)-dione hydrate

ChEBI IDCHEBI:181228
ChEBI Name(3S,3Ar,4S,9aS,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5-tetrahydroazuleno[4,5-b]furan-2,7(9aH,9bH)-dione hydrate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O4.H2O
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESO.[H][C@]12C(C)=CC(=O)C1=C(C)C[C@H](O)[C@@]1([H])[C@H](C)C(=O)O[C@]21[H]
InChIInChI=1S/C15H18O4.H2O/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12;/h5,8,10,12-14,17H,4H2,1-3H3;1H2/t8-,10-,12-,13+,14+;/m0./s1
InChIKeyADUHAEBXPKBNDK-OULSSNOLSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,3Ar,4S,9aS,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5-tetrahydroazuleno[4,5-b]furan-2,7(9aH,9bH)-dione hydrate (CHEBI:181228) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3S,3aR,4S,9aS,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]uran-2,7-dione;hydrate
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