LMPR01070120
  LIPID_MAPS_STRUCTURE_DATABASE

 41 40  0     0  0            999 V2000
    9.3592    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2604    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0942    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0942    9.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6338    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4916    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9922    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8465    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7275    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6018    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6018    9.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7970    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9262    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4694    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3338    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6904    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8194    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2217    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0891    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0891    9.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9667    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8377    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6889    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5663    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4542    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3252    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4542    6.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1996    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9449    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9449    6.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0571    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4591    6.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4591    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6048    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2043    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2864    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9262    6.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0520    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7594    7.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0277    9.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6338    9.3699    0.0000 O   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
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 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
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 28 31  1  0  0  0  0
 17 29  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 16 34  1  0  0  0  0
 35 36  1  0  0  0  0
 33 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  2  0  0  0  0
 35 38  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070120

> <COMMON_NAME>
Demethylspheroidene

> <SYSTEMATIC_NAME>
3,4-Didehydro-1,2,7',8'-tetrahydro-psi,psi-carotene-1-ol

> <FORMULA>
C40H58O

> <MASS>
554.45

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Demethylated spheroidene

> <INCHI_KEY>
IKOGZSUEGBDVQU-XZXJNJSQSA-N

> <INCHI>
InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-15,17-21,23-27,29-31,41H,13,16,22,28,32H2,1-10H3/b12-11+,23-14+,24-15+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+

> <SMILES>
C(/CC(O)(C)C)=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>
C15898

> <HMDB_ID>
-

> <CHEBI_ID>
62505

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061251

> <LIPIDBANK_ID>
VCA1038

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
119542

> <CITATION>
16228308

$$$$