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CHEBI:182050 - Pentalenolactone O

ChEBI IDCHEBI:182050
ChEBI NamePentalenolactone O
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SubmitterMetaboLights
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FormulaC15H18O6
Net Charge0
Average Mass294.303
Monoisotopic Mass294.11034
SMILES[H][C@@]12COC(=O)[C@](O)(CO)C13C=C(C)[C@@H](C)[C@@]3([H])C=C2C(=O)O
InChIInChI=1S/C15H18O6/c1-7-4-14-10(8(7)2)3-9(12(17)18)11(14)5-21-13(19)15(14,20)6-16/h3-4,8,10-11,16,20H,5-6H2,1-2H3,(H,17,18)/t8-,10-,11+,14?,15-/m1/s1
InChIKeyFWDDYLWFBHUEKH-QXGHTHNXSA-N
ChEBI Ontology
Outgoing Relation(s)
Pentalenolactone O (CHEBI:182050) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1R,4aR,6aR,7S)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
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