LMPR01070115
  LIPID_MAPS_STRUCTURE_DATABASE

 41 40  0     0  0            999 V2000
    9.4093    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3012    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1204    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1204    9.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7116    9.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7116    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5605    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9825    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8577    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6771    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    9.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3138    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4583    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3814    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2401    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3384    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4993    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1186    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9414    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9414    9.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8033    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6818    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4845    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3435    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2219    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0841    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2219    6.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9232    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6307    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6307    6.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7620    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0462    6.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0462    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2233    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7505    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8752    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4583    6.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6159    8.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8595    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6628    8.9821    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  2  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
M  END
> <LM_ID>
LMPR01070115

> <COMMON_NAME>
1-Hydroxy-3,4-didehydrolycopene

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

> <FORMULA>
C40H56O

> <MASS>
552.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,4-Dehydrorhodopin; 3,4-Didehydrorhodopin

> <INCHI_KEY>
YNXUITAACINYQG-VWQKURAKSA-N

> <INCHI>
InChI=1S/C40H56O/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/h11-12,14-21,23-31,41H,13,22,32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+

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

> <KEGG_ID>
C15874

> <HMDB_ID>
-

> <CHEBI_ID>
62481

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061249

> <LIPIDBANK_ID>
VCA1033

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
417202

> <CITATION>
18385894

$$$$