neopentalenoketolactone
Chemical Formula:
C15H17O5
Molecular Weight:
277.296 Daltons
Monoisotopic Mass:
278.1154236883 Daltons
SMILES:
CC2(C)(CC3(C=C(C([O-])=O)C1(C(C(=O)COC(=O)C1)(C2)3)))
InChI:
1S/C15H18O5/c1-14(2)5-8-3-9(13(18)19)10-4-12(17)20-6-11(16)15(8,10)7-14/h3,8,10H,4-7H2,1-2H3,(H,18,19)/p-1/t8?,10-,15+/m0/s1
InChIKey:
Databases
MetaCyc:
CPDMETA-13642
PubChem (CID):
90657240
Seed:
cpd26620
MetaNetX:
MNXM19842