LMPR01070880
  LIPID_MAPS_STRUCTURE_DATABASE

 44 43  0     0  0            999 V2000
    1.1790  -10.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0479   -9.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9166  -10.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7855   -9.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6543  -10.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5233   -9.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3921  -10.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2609   -9.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1298  -10.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9986   -9.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8676  -10.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7364   -9.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6052  -10.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4740   -9.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3429  -10.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2117   -9.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0806  -10.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9494   -9.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8183  -10.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6872   -9.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5560  -10.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0479   -8.7087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1633   -8.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0249   -8.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3921  -11.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9986   -8.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4740   -8.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8183  -11.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4043   -9.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2732  -10.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1419   -9.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0108  -10.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2732  -11.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8690   -9.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7375  -10.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6057   -9.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4737  -10.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3417   -9.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2098  -10.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0779   -9.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8619   -8.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2363  -11.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2387  -11.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2098  -11.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
  2 22  2  0     0  0
  6 23  1  0     0  0
  6 24  1  0     0  0
  7 25  2  0     0  0
 10 26  1  0     0  0
 14 27  1  0     0  0
 19 28  1  0     0  0
 21 29  1  0     0  0
 29 30  2  0     0  0
 30 31  1  0     0  0
 31 32  2  0     0  0
 30 33  1  0     0  0
 34 32  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 34 41  2  0     0  0
 35 42  1  0     0  0
 35 43  1  0     0  0
 39 44  2  0     0  0
M  END
> <LM_ID>
LMPR01070880

> <COMMON_NAME>
Beta-Carotenone

> <SYSTEMATIC_NAME>
5,6,5',6'-Diseco-beta,beta-carotene-5,6,5',6'-tetrone

> <FORMULA>
C40H56O4

> <MASS>
600.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UQKVQNUNGXYNOJ-JLTXGRSLSA-N

> <INCHI>
InChI=1S/C40H56O4/c1-31(19-13-21-33(3)25-27-37(43)39(7,8)29-15-23-35(5)41)17-11-12-18-32(2)20-14-22-34(4)26-28-38(44)40(9,10)30-16-24-36(6)42/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+

> <SMILES>
CC(=O)CCCC(C)(C)C(=O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C(C)(C)CCCC(=O)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20055197

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
141464; 1115353

> <CITATION>
16218688; 15940869

$$$$