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(+)-Dihydrokawain-5-ol

PropertiesImage
MNX_IDMNXM114766 Image of MNXM114766
referencechebi:181514
formulaC14H16O4
global charge0
mol weight248.278
InChIKeyVJCNEDVMYQCMBK-SMDDNHRTSA-N
InChIInChI=1S/C14H16O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-6,9,11,14,16H,7-8H2,1H3/t11-,14+/m0/s1
SMILESCOC1=CC(=O)O[C@@H](CCC2=CC=CC=C2)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C14H16O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-6,9,11,14,16H,7-8H2,1H3/t11-,14+/m0/s1 Image of MNXM114766
SMILES (mnx)[CH3:1][O:17][C:12]1=[CH:9][C:13](=[O:15])[O:18][C@@H:11]([CH2:8][CH2:7][C:10]2=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]2)[C@H:14]1[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:181514
chebi:181514
VJCNEDVMYQCMBK-SMDDNHRTSA-N 		(+)-Dihydrokawain-5-ol
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one

CHEBI:174280
chebi:174280
VJCNEDVMYQCMBK-UHFFFAOYSA-N 		(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one
3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
hmdb:HMDB0029575
VJCNEDVMYQCMBK-UHFFFAOYSA-N 		(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one
5-hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
5-hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydropyran-2-one

hmdb:HMDB29575 		secondary/obsolete/fantasy identifier