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7-deoxyloganetate

PropertiesImage
MNX_IDMNXM10416 Image of MNXM10416
referencechebi:76846
formulaC10H13O4
global charge-1
mol weight197.21
InChIKeyDKGYTSKPMLWLEI-FIZOKRMRSA-M
InChIInChI=1S/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/p-1/t5-,6+,8+,10+/m0/s1
SMILESC[C@H]1CC[C@@H]2C(C(=O)[O-])=CO[C@@H](O)[C@@H]21
MNX internals
InChI (mnx)InChI=1/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/t5-,6+,8+,10+/m0/s1 Image of MNXM10416
SMILES (mnx)[CH3:1][C@H:5]1[CH2:2][CH2:3][C@@H:6]2[C:7]([C:9](=[O:11])[OH:12])=[CH:4][O:14][C@@H:10]([OH:13])[C@H:8]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76846
chebi:76846
DKGYTSKPMLWLEI-FIZOKRMRSA-M 		7-deoxyloganetate
(1R,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

kegg.compound:C20789
keggC:C20789
DKGYTSKPMLWLEI-FIZOKRMRSA-N 		7-Deoxyloganetate
(1S,4aS,7S,7aR)-1-Hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

seed.compound:cpd25924
seedM:cpd25924
DKGYTSKPMLWLEI-FIZOKRMRSA-M 		7-deoxyloganetate
7-Deoxyloganetate
7-deoxyloganetic acid

metacyc.compound:CPD-9980
metacycM:CPD-9980
DKGYTSKPMLWLEI-FIZOKRMRSA-M 		7-deoxyloganetate
7-deoxyloganetic acid

CHEBI:77027
chebi:77027
DKGYTSKPMLWLEI-FIZOKRMRSA-N 		7-deoxyloganetic acid
(1R,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

keggC:M_C20789
seedM:M_cpd25924 		secondary/obsolete/fantasy identifier