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3-oxo-alpha-ionol

PropertiesImage
MNX_IDMNXM1129778 Image of MNXM1129778
referencechebi:177378
formulaC13H20O2
global charge0
mol weight208.301
InChIKeyMDCGEAGEQVMWPE-AATRIKPKSA-N
InChIInChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+
SMILESCC1=CC(=O)CC(C)(C)C1/C=C/C(C)O
MNX internals
InChI (mnx)InChI=1/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+/t10?,12? Image of MNXM1129778
SMILES (mnx)[CH3:1][C:9]1=[CH:7][C:11](=[O:15])[CH2:8][C:13]([CH3:3])([CH3:4])[CH:12]1/[CH:6]=[CH:5]/[CH:10]([CH3:2])[OH:14]
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:177378
chebi:177378
MDCGEAGEQVMWPE-AATRIKPKSA-N 		3-oxo-alpha-ionol
4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
hmdb:HMDB0303805
MDCGEAGEQVMWPE-AATRIKPKSA-N 		3-Oxo-alpha-ionol
3-oxo-a-Ionol
3-oxo-alpha-ionol
4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one