LMPR01070119
  LIPID_MAPS_STRUCTURE_DATABASE

 42 41  0  0  0  0  0  0  0  0999 V2000
    9.5344    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4124    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2190    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2190    9.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8596    9.4365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8596    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6919    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0971    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9461    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7527    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6246    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6246    9.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2637    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4149    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4668    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3059    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3346    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4857    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1675    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0099    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0099    9.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8621    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7110    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5340    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3862    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2480    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0969    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2480    6.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9455    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6401    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6401    6.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7782    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0292    6.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0292    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2032    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7205    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8519    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4149    6.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5661    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0107    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6528    8.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9620   10.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  3  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  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 29 32  1  0  0  0  0
 18 30  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 17 35  1  0  0  0  0
 36 37  1  0  0  0  0
 34 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  2  0  0  0  0
 36 39  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  5 42  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070119

> <COMMON_NAME>
Spheroidene

> <SYSTEMATIC_NAME>
1-Methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-carotene

> <FORMULA>
C41H60O

> <MASS>
568.46

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FJOCMTHZSURUFA-AXYGSFPTSA-N

> <INCHI>
InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+

> <SMILES>
C(/CC(C)(C)OC)=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\CC/C=C(/CC/C=C(\C)/C)\C)/C)\C)\C)\C

> <KEGG_ID>
C15900

> <HMDB_ID>
-

> <CHEBI_ID>
35330

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6368932

> <LIPIDBANK_ID>
VCA1037

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1063

> <CITATION>
9393712

$$$$