LMPR01070304
  LIPID_MAPS_STRUCTURE_DATABASE

 14 14  0     0  0            999 V2000
    6.0606    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2195    9.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6338    9.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    9.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  0  0  0  0
 10  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3 12  1  0  0  0  0
 12  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 14  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070304

> <COMMON_NAME>
trans-beta-damascenone

> <SYSTEMATIC_NAME>
1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2E-buten-1-one

> <FORMULA>
C13H18O

> <MASS>
190.14

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C40 isoprenoids (tetraterpenes) [PR0107]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
POIARNZEYGURDG-FNORWQNLSA-N

> <INCHI>
InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+

> <SMILES>
C1C=CC(C)=C(C(/C=C/C)=O)C1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0013804

> <CHEBI_ID>
67251

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5366074

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3765

> <CITATION>
24266866

$$$$