LMPR01070001
  LIPID_MAPS_STRUCTURE_DATABASE

 40 41  0  0  0  0  0  0  0  0999 V2000
    6.0606    7.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9288    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7972    6.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7972    7.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9288    8.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4302    8.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4275    8.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656    8.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    7.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4022    8.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2705    7.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1389    8.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0072    7.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8755    8.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7439    7.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6121    8.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4022    9.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8755    9.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9170    8.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9170    9.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0487    9.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1804    9.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1804    8.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0487    7.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5474    6.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5501    6.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3120    7.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438    8.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5754    7.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7070    8.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8387    7.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9704    8.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1021    7.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2337    8.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3655    7.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3120    9.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5754    6.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1021    6.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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
  6  1  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  6  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
  4 18  1  0  0  0  0
 11 19  1  0  0  0  0
 15 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  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 21  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  6  0  0  0
 29 25  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 24 38  1  0  0  0  0
 31 39  1  0  0  0  0
 35 40  1  0  0  0  0
 17 37  2  0  0  0  0
M  END
> <LM_ID>
LMPR01070001

> <COMMON_NAME>
Beta-carotene

> <SYSTEMATIC_NAME>


> <FORMULA>
C40H56

> <MASS>
536.44

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OENHQHLEOONYIE-JLTXGRSLSA-N

> <INCHI>
InChI=1S/C40H56/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/h11-14,17-22,25-28H,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>
C1[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)CCCC=2C)=C(C)CC1

> <KEGG_ID>
C02094

> <HMDB_ID>
HMDB0000561

> <CHEBI_ID>
17579

> <ABBREVIATION>
-

> <CAYMAN_ID>
16837

> <SWISSLIPIDS_ID>
SLM:000000432

> <PUBCHEM_COMPOUND_ID>
5280489

> <LIPIDBANK_ID>
VCA0001

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$