LMPR01070515
  LIPID_MAPS_STRUCTURE_DATABASE

 41 41  0     0  0            999 V2000
    1.2356  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2356  -11.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0869  -12.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9881  -11.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9881  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0869  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7405  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5916  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4428  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3440  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1951  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0463  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9475  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6498  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5510  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4021  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2534  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1545  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0057  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8569  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862   -9.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5876   -9.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393  -12.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7580  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6092  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8569  -11.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4021  -11.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5916   -9.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0463   -9.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4603  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3616  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2127  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3616  -11.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0639  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9150  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7662  -10.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6173  -10.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9148   -9.3075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7663  -11.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  5  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
  6 23  1  0     0  0
  6 24  1  0     0  0
  4 25  1  0     0  0
 22 26  1  0     0  0
 26 27  2  0     0  0
 22 28  1  0     0  0
 18 29  1  0     0  0
  9 30  1  0     0  0
 13 31  1  0     0  0
 27 32  1  0     0  0
 32 33  2  0     0  0
 33 34  1  0     0  0
 33 35  1  0     0  0
 34 36  2  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 37 40  1  0     0  0
 38 41  1  0     0  0
M  END
> <LM_ID>
LMPR01070515

> <COMMON_NAME>
2'-Hydroxy-1',2'-dihydrotorulene

> <SYSTEMATIC_NAME>
3',4'-Didehydro-1',2'-dihydro-beta,psi-caroten-2'-ol

> <FORMULA>
C40H56O

> <MASS>
552.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UVPYSBFJYUREBT-IWTFSDIBSA-N

> <INCHI>
InChI=1S/C40H56O/c1-31(2)39(41)29-27-36(7)24-15-22-34(5)21-13-19-32(3)17-11-12-18-33(4)20-14-23-35(6)26-28-38-37(8)25-16-30-40(38,9)10/h11-15,17-24,26-29,31,39,41H,16,25,30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,29-27+,32-17+,33-18+,34-21+,35-23+,36-24+

> <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=C(\C)/C=C/C(O)C(C)C)=C(C)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87443277

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5418

> <CITATION>
-

$$$$