LMPR01070893
  LIPID_MAPS_STRUCTURE_DATABASE

 40 41  0  0  0  0  0  0  0  0999 V2000
    3.7113  -11.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113  -12.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5784  -12.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4457  -12.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4457  -11.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5784  -10.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3309  -10.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1982  -11.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653  -10.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9325  -11.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7998  -10.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6669  -11.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5340  -10.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4013  -11.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2684  -10.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1358  -11.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0028  -10.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8701  -11.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7373  -10.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6046  -11.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4717  -10.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3390  -11.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0777   -9.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -9.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3262  -12.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2015  -10.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0541  -11.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9045  -10.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7560  -11.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6232  -10.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6232   -9.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7718   -9.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9046   -9.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2554  -12.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2566  -12.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3390  -12.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8701  -12.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653   -9.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5340   -9.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0449   -9.3466    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
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  4 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 27  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  1  0  0  0  0
 22 36  1  0  0  0  0
 18 37  1  0  0  0  0
  9 38  1  0  0  0  0
 13 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070893

> <COMMON_NAME>
(6'R)-a-Carotene

> <SYSTEMATIC_NAME>
(6'S)-beta,epsilon-Carotene

> <FORMULA>
C40H56

> <MASS>
536.44

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ANVAOWXLWRTKGA-QTRZAOAUSA-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/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m1/s1

> <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/[C@@H]2C(C)=CCCC2(C)C)=C(C)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
35148

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6419724

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
329726

> <CITATION>
22968452

$$$$