LMPR01070784
  LIPID_MAPS_STRUCTURE_DATABASE

 43 44  0     0  0            999 V2000
    5.5774  -11.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5774  -12.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4448  -12.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3372  -12.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3122  -11.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4448  -10.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1976  -10.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0651  -11.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9325  -10.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7999  -11.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6674  -10.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5348  -11.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4020  -10.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2696  -11.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1369  -10.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0044  -11.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8718  -10.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7392  -11.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6066  -10.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4739  -11.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3413  -10.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2089  -11.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440   -9.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9455   -9.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0714  -10.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9243  -11.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7749  -10.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6266  -11.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4942  -10.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4943   -9.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6424   -9.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7750   -9.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2089  -12.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7392  -12.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9325   -9.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4020   -9.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1267  -12.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1267  -12.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9152   -9.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1816  -12.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6931  -10.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8458  -11.1967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6927   -9.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  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  2  0     0  0
 31 32  1  0     0  0
 27 32  2  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
 32 39  1  0     0  0
  4 40  1  0     0  0
  1 41  1  0     0  0
 41 42  2  0     0  0
 41 43  1  0     0  0
M  END
> <LM_ID>
LMPR01070784

> <COMMON_NAME>
Bisdehydro-beta-carotene-2-carboxylic acid

> <SYSTEMATIC_NAME>
3,4,3',4'-Tetradehydro-beta,beta-carotene-2-carboxylic acid

> <FORMULA>
C41H52O2

> <MASS>
576.40

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CRGALRMPYMAATA-VTSYBOBWSA-N

> <INCHI>
InChI=1S/C41H52O2/c1-30(18-13-20-32(3)23-26-36-34(5)22-15-29-40(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-27-37-35(6)25-28-38(39(42)43)41(37,9)10/h11-28,38H,29H2,1-10H3,(H,42,43)/b12-11+,18-13+,19-14+,26-23+,27-24+,30-16+,31-17+,32-20+,33-21+

> <SMILES>
C1(C(O)=O)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=C/C2=C(C)C=CCC2(C)C)=C(C)C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119380

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1275

> <CITATION>
8607832

$$$$