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(S)-11,12,13-Trinor-7-calamenone

PropertiesImage
MNX_IDMNXM115406 Image of MNXM115406
referencechebi:197199
formulaC12H14O
global charge0
mol weight174.243
InChIKeySQESYXTWWGWCFK-UHFFFAOYSA-N
InChIInChI=1S/C12H14O/c1-8-3-5-10-9(2)4-6-12(13)11(10)7-8/h3,5,7,9H,4,6H2,1-2H3
SMILESCC1=CC2=C(C=C1)C(C)CCC2=O
MNX internals
InChI (mnx)InChI=1/C12H14O/c1-8-3-5-10-9(2)4-6-12(13)11(10)7-8/h3,5,7,9H,4,6H2,1-2H3/t9? Image of MNXM115406
SMILES (mnx)[CH3:1][C:8]1=[CH:7][C:11]2=[C:10]([CH:5]=[CH:3]1)[CH:9]([CH3:2])[CH2:4][CH2:6][C:12]2=[O:13]
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:197199
chebi:197199
SQESYXTWWGWCFK-UHFFFAOYSA-N 		(S)-11,12,13-Trinor-7-calamenone
4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
hmdb:HMDB0040823
SQESYXTWWGWCFK-UHFFFAOYSA-N 		(S)-11,12,13-Trinor-7-calamenone
4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one
4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one

hmdb:HMDB40823 		secondary/obsolete/fantasy identifier