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1-deoxy-11beta-hydroxypentalenate

Properties

Image

Occurences in reactions

MNX_ID

MNXM9677

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₅H₂₁O₃

charge

-1

mass

249.14962

reference

InChIKey

IZHNAGBQRXWHMT-QLLAZOAUSA-M

InChI

InChI=1S/C15H22O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11-12,16H,5-7H2,1-3H3,(H,17,18)/p-1/t8-,9-,11+,12-,15-/m1/s1

SMILES

C[C@@H]1[C@H](O)C[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@]312

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:70779 chebi:70779	1-deoxy-11beta-hydroxypentalenate (1S,2R,3aR,5aS,8aR)-2-hydroxy-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate
seed.compound:cpd31085 seedM:cpd31085 kegg.compound:C20403 keggC:C20403	1-Deoxy-11beta-hydroxypentalenate
metacyc.compound:CPD-13620 metacycM:CPD-13620	1-deoxy-11beta-hydroxypentalenate (1S,2R,3aR,5aS,8aR)-2-hydroxy-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate 11beta-hydroxy-1-deoxypentalenate 11beta-hydroxy-1-deoxypentalenic acid
CHEBI:70796 chebi:70796	1-deoxy-11beta-hydroxypentalenic acid (1S,2R,3aR,5aS,8aR)-2-hydroxy-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid
lipidmaps:LMPR0103890002 lipidmapsM:LMPR0103890002	1-deoxy-11beta-hydroxypentalenic acid 1-deoxy-11beta-hydroxypentalenic acid
seed.compound:cpd23964 seedM:cpd23964	11beta-hydroxy-1-deoxypentalenate (1S,2R,3aR,5aS,8aR)-2-hydroxy-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate 1-deoxy-11beta-hydroxypentalenate 11beta-hydroxy-1-deoxypentalenic acid
keggC:M_C20403 seedM:M_cpd23964 seedM:M_cpd31085	secondary/obsolete/fantasy identifier