pentalenate
Chemical Formula:
C15H21O3
Molecular Weight:
249.329 Daltons
Monoisotopic Mass:
250.1568945725 Daltons
SMILES:
CC1(CCC3(C(C([O-])=O)=CC2(C(O)C(C)(C)CC123)))
InChI:
1S/C15H22O3/c1-8-4-5-10-9(13(17)18)6-11-12(16)14(2,3)7-15(8,10)11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/p-1/t8-,10?,11?,12-,15?/m1/s1
InChIKey:
Synonyms
- pentalenic acid
Databases
MetaCyc:
CPDMETA-13643
PubChem (CID):
90658739
ChEBI:
68649
Seed:
cpd26621
MetaNetX:
MNXM20344
KEGG:
C20405