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1-deoxy-11-oxopentalenate

PropertiesImage
MNX_IDMNXM7994 Image of MNXM7994
referencechebi:70780
formulaC15H19O3
global charge-1
mol weight247.314
InChIKeyQNHNMKVZFMGGJB-LIEMUPCESA-M
InChIInChI=1S/C15H20O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/p-1/t8-,9-,11+,15-/m1/s1
SMILESC[C@@H]1C(=O)C[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@]312
MNX internals
InChI (mnx)InChI=1/C15H20O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/t8-,9-,11+,15-/m1/s1 Image of MNXM7994
SMILES (mnx)[CH3:1][C@@H:8]1[C:12](=[O:16])[CH2:5][C@H:11]2[C:10]([C:13](=[O:17])[OH:18])=[CH:4][C@@H:9]3[CH2:6][C:14]([CH3:2])([CH3:3])[CH2:7][C@@:15]132
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70780
chebi:70780
QNHNMKVZFMGGJB-LIEMUPCESA-M 		1-deoxy-11-oxopentalenate
(1S,3aR,5aS,8aR)-1,7,7-trimethyl-2-oxo-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate
1-deoxy-11-ketopentalenate

seed.compound:cpd31083
seedM:cpd31083
kegg.compound:C20400
keggC:C20400
QNHNMKVZFMGGJB-OXJFZGGMSA-M
QNHNMKVZFMGGJB-OXJFZGGMSA-N 		1-Deoxy-11-oxopentalenate

metacyc.compound:CPD-13625
metacycM:CPD-13625
seed.compound:cpd23969
seedM:cpd23969
QNHNMKVZFMGGJB-LIEMUPCESA-M 		1-deoxy-11-oxopentalenate
(1S,3aR,5aS)-1,7,7-trimethyl-2-oxo-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate
1-deoxy-11-oxopentalenoic acid

CHEBI:70797
chebi:70797
QNHNMKVZFMGGJB-LIEMUPCESA-N 		1-deoxy-11-oxopentalenic acid
(1S,3aR,5aS,8aR)-1,7,7-trimethyl-2-oxo-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid
1-deoxy-11-ketopentalenic acid

lipidmaps:LMPR0103890003
lipidmapsM:LMPR0103890003
QNHNMKVZFMGGJB-LIEMUPCESA-N 		1-deoxy-11-oxopentalenic acid
1-deoxy-11-oxopentalenic acid

keggC:M_C20400
seedM:M_cpd23969
seedM:M_cpd31083 		secondary/obsolete/fantasy identifier