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M  END
> <ID>
CHEBI:137722

> <NAME>
(-)-Ngaione

> <STAR>
2

> <FORMULA>
C15H22O3

> <MASS>
250.334

> <MONOISOTOPIC_MASS>
250.15689

> <CHARGE>
0

> <SMILES>
C1=COC=C1[C@@]2(CC[C@](O2)(C)CC(CC(C)C)=O)[H]

> <INCHI>
InChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3/t14-,15+/m0/s1

> <INCHIKEY>
WOFDWNOSFDVCDF-LSDHHAIUSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0103020001

$$$$