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(S)-Chiral alcohol

PropertiesImage
MNX_IDMNXM6562 Image of MNXM6562
referencechebi:81700
formulaC16H16O6
global charge0
mol weight304.298
InChIKeyXORAIIJQEIRUFP-NSHDSACASA-N
InChIInChI=1S/C16H16O6/c1-8(17)14-10(6-11(18)7-13(20)21)5-9-3-2-4-12(19)15(9)16(14)22/h2-4,11,18-19H,5-7H2,1H3,(H,20,21)/t11-/m0/s1
SMILESCC(=O)C1=C(C[C@H](O)CC(=O)O)CC2=CC=CC(O)=C2C1=O
MNX internals
InChI (mnx)InChI=1/C16H16O6/c1-8(17)14-10(6-11(18)7-13(20)21)5-9-3-2-4-12(19)15(9)16(14)22/h2-4,11,18-19H,5-7H2,1H3,(H,20,21)/t11-/m0/s1 Image of MNXM6562
SMILES (mnx)[CH3:1][C:8]([C:14]1=[C:10]([CH2:6][C@@H:11]([CH2:7][C:13](=[O:20])[OH:21])[OH:18])[CH2:5][C:9]2=[C:15]([C:12]([OH:19])=[CH:4][CH:2]=[CH:3]2)[C:16]1=[O:22])=[O:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:81700
chebi:81700
kegg.compound:C18354
keggC:C18354
XORAIIJQEIRUFP-NSHDSACASA-N 		(S)-Chiral alcohol

metacyc.compound:CPD1A0-6105
metacycM:CPD1A0-6105
XORAIIJQEIRUFP-NSHDSACASA-M 		(S)-4-(3'-acetyl-5'-hydroxy-4'-oxo-1',4'-dihydronapthalen-2'-yl)-3-hydroxybutanoate
(S)-4-(3'-acetyl-5'-hydroxy-4'-oxo-1',4'-dihydronapthalen-2'-yl)-3-hydroxybutanoic acid
chiral alcohol
intermediate5

seed.compound:cpd19619
seedM:cpd19619
XORAIIJQEIRUFP-NSHDSACASA-M 		(S)-Chiral alcohol
(S)-4-(3'-acetyl-5'-hydroxy-4'-oxo-1',4'-dihydronapthalen-2'-yl)-3-hydroxybutanoate
(S)-4-(3'-acetyl-5'-hydroxy-4'-oxo-1',4'-dihydronapthalen-2'-yl)-3-hydroxybutanoic acid
chiral alcohol
intermediate5

keggC:M_C18354
seedM:M_cpd19619 		secondary/obsolete/fantasy identifier