LMPR01070021
  LIPID_MAPS_STRUCTURE_DATABASE

 40 41  0  0  0  0  0  0  0  0999 V2000
    6.0606    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4266    8.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4266    8.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    8.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    8.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2566    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1226    8.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9886    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547    8.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7207    7.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5867    8.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4527    7.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3187    8.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1847    7.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0508    8.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9168    7.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7829    8.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6488    7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5149    8.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3809    7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2470    8.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    9.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547    9.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1847    6.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6488    6.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1129    7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9790    8.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9790    9.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1129    9.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2469    9.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6129    6.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6129    6.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3808    9.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 12 29  1  0  0  0  0
 16 30  1  0  0  0  0
 21 31  1  0  0  0  0
 25 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 28 37  2  0  0  0  0
 33 38  1  0  0  0  0
 33 39  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070021

> <COMMON_NAME>
3,4-Didehydro-beta-carotene

> <SYSTEMATIC_NAME>
3,4-Didehydro-beta,beta-carotene

> <FORMULA>
C40H54

> <MASS>
534.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SONVPQQKNKXERO-JLTXGRSLSA-N

> <INCHI>
InChI=1S/C40H54/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-15,17-23,25-28H,16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+

> <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/C2=C(C)CCCC2(C)C)=C(C)C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061191

> <LIPIDBANK_ID>
VCA0019

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
105696

> <CITATION>
5813303

$$$$