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loganetin

PropertiesImage
MNX_IDMNXM148328 Image of MNXM148328
referencechebi:195298
formulaC11H16O5
global charge0
mol weight228.244
InChIKeyXWOHZIIPBYAMJX-KHBMLBSESA-N
InChIInChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1
SMILESCOC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12
MNX internals
InChI (mnx)InChI=1/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1 Image of MNXM148328
SMILES (mnx)[CH3:1][C@H:5]1[C@@H:8]([OH:12])[CH2:3][C@@H:6]2[C:7]([C:10](=[O:13])[O:15][CH3:2])=[CH:4][O:16][C@@H:11]([OH:14])[C@H:9]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:195298
chebi:195298
XWOHZIIPBYAMJX-KHBMLBSESA-N 		loganetin
methyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

kegg.compound:C22676
keggC:C22676
XWOHZIIPBYAMJX-KHBMLBSESA-N 		Loganetin

metacyc.compound:CPD-16441
metacycM:CPD-16441
seed.compound:cpd35287
seedM:cpd35287
XWOHZIIPBYAMJX-KHBMLBSESA-N 		loganetin

keggC:M_C22676
seedM:M_cpd35287 		secondary/obsolete/fantasy identifier