LMPR01070932
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
    2.4213  -11.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213  -12.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864  -13.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517  -12.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517  -11.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864  -11.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347  -11.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9001  -11.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7651  -11.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6303  -11.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4956  -11.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3607  -11.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2257  -11.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0910  -11.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9561  -11.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8214  -11.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6866  -11.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5518  -11.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4169  -11.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2821  -11.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1472  -11.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0124  -11.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7869  -10.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7859  -10.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8728  -11.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7235  -11.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5720  -11.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4215  -11.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2867  -11.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2868  -10.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4373   -9.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5721  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0124  -12.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5518  -12.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7651  -10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2257  -10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9202  -12.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9227  -12.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0519  -13.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6653   -9.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2866  -14.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5509  -13.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  5  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
  6 23  1  0     0  0
  6 24  1  0     0  0
 22 25  1  0     0  0
 25 26  2  0     0  0
 27 26  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  2  0     0  0
 27 32  1  0     0  0
 22 33  1  0     0  0
 18 34  1  0     0  0
  9 35  1  0     0  0
 13 36  1  0     0  0
 28 37  1  0     0  0
 28 38  1  0     0  0
  4 39  1  0     0  0
 32 40  1  0     0  0
  3 41  2  0     0  0
  2 42  1  0     0  0
M  END
> <LM_ID>
LMPR01070932

> <COMMON_NAME>
3,4-Diketo-alpha-carotene

> <SYSTEMATIC_NAME>
3-Hydroxy-2,3-didehydro-beta,epsilon-caroten-4-one

> <FORMULA>
C40H52O2

> <MASS>
564.40

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JWANATKRIONTTO-GVVOHZSFSA-N

> <INCHI>
InChI=1S/C40H52O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-26,28,35,41H,15,27H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+

> <SMILES>
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(C)=CCCC2(C)C)=C(C)C(=O)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118968

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1275

> <CITATION>
-

$$$$