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7-deoxyloganetin

PropertiesImage
MNX_IDMNXM146113 Image of MNXM146113
referencechebi:76849
formulaC11H16O4
global charge0
mol weight212.245
InChIKeyGGFAHFSRIITJIJ-NONSRLQASA-N
InChIInChI=1S/C11H16O4/c1-6-3-4-7-8(10(12)14-2)5-15-11(13)9(6)7/h5-7,9,11,13H,3-4H2,1-2H3/t6-,7+,9+,11+/m0/s1
SMILESCOC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1CC[C@@H]2C
MNX internals
InChI (mnx)InChI=1/C11H16O4/c1-6-3-4-7-8(10(12)14-2)5-15-11(13)9(6)7/h5-7,9,11,13H,3-4H2,1-2H3/t6-,7+,9+,11+/m0/s1 Image of MNXM146113
SMILES (mnx)[CH3:1][C@H:6]1[CH2:3][CH2:4][C@@H:7]2[C:8]([C:10](=[O:12])[O:14][CH3:2])=[CH:5][O:15][C@@H:11]([OH:13])[C@H:9]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76849
chebi:76849
GGFAHFSRIITJIJ-NONSRLQASA-N 		7-deoxyloganetin
methyl (1S,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
methyl 7-deoxyloganetate

kegg.compound:C20790
keggC:C20790
GGFAHFSRIITJIJ-NONSRLQASA-N 		7-Deoxyloganetin

seed.compound:cpd31350
seedM:cpd31350
GGFAHFSRIITJIJ-NONSRLQASA-N 		7-Deoxyloganetin
7-deoxyloganetin

metacyc.compound:CPD-16439
metacycM:CPD-16439
GGFAHFSRIITJIJ-NONSRLQASA-N 		7-deoxyloganetin

keggC:M_C20790
seedM:M_cpd31350 		secondary/obsolete/fantasy identifier