1-deoxypentalenate

Chemical Formula:

C₁₅H₂₁O₂

Molecular Weight:

233.33 Daltons

Monoisotopic Mass:

234.1619799504 Daltons

SMILES:

CC1(CCC3(C(C([O-])=O)=CC2(CC(C)(C)CC123)))

InChI:

1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/p-1/t9-,10?,12?,15?/m1/s1

InChIKey:

DCFDRCCHOOORSB-QWMVPQQSSA-M

Synonyms

Databases

MetaCyc: CPD-13618

PubChem (CID): 90658287 70678894

ChEBI: 68650

Seed: cpd23962

MetaNetX: MNXM7995

KEGG: C20404