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alpha-Sinensal

PropertiesImage
MNX_IDMNXM41588 Image of MNXM41588
referencechebi:10332
formulaC15H22O
global charge0
mol weight218.34
InChIKeyPFSTYGCNVAVZBK-JQGMZEBDSA-N
InChIInChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+
SMILESC=C/C(C)=C/C/C=C(\C)CC/C=C(\C)C=O
MNX internals
InChI (mnx)InChI=1/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+ Image of MNXM41588
SMILES (mnx)[CH2:1]=[CH:5]/[C:13]([CH3:2])=[CH:8]/[CH2:6]/[CH:9]=[C:14](\[CH3:3])[CH2:10][CH2:7]/[CH:11]=[C:15](\[CH3:4])[CH:12]=[O: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

seed.compound:cpd06621
seedM:cpd06621
CHEBI:10332
chebi:10332
kegg.compound:C09729
keggC:C09729
PFSTYGCNVAVZBK-JQGMZEBDSA-N 		alpha-Sinensal
hmdb:HMDB0038215
PFSTYGCNVAVZBK-JQGMZEBDSA-N 		alpha-Sinensal
(2E,6E,9E)-2,6,10-Trimethyl-2,6,9,11-dodecatetraenal
(2E,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
(e,e,e)-2,6,10-Trimethyldodeca-2,6,9,11-tetraen-1-al
2,6,10-Trimethyl-(2E,6E,9E)-2,6,9,11-dodecatetraenal
2,6,10-Trimethyl-(e,e,e)-2,6,9,11-dodecatetraenal
2,6,10-Trimethyl-2,6,9,11-dodecatetraenal
a-Sinensal
alpha-sinensal

hmdb:HMDB0013693
hmdb:HMDB13693
hmdb:HMDB38215
keggC:M_C09729
seedM:M_cpd06621 		secondary/obsolete/fantasy identifier