LMPR01070973
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
    2.8031  -10.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8031  -11.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6698  -12.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5366  -11.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5366  -10.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6698  -10.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4213  -10.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2881  -10.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1547  -10.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0216  -10.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8884  -10.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7550  -10.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6216  -10.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4885  -10.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3552  -10.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2220  -10.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0887  -10.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9555  -10.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8221  -10.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6890  -10.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5556  -10.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4225  -10.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1693   -9.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1702   -9.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4166  -12.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2845  -10.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1366  -10.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9866  -10.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8376  -10.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7044  -10.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7046   -9.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8534   -8.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9867   -9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4225  -11.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9555  -11.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1547   -9.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6216   -9.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1274   -8.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5915   -8.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3379  -11.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3372  -11.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9367  -12.3587    0.0000 O   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  2  0  0  0  0
  4  5  1  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  0  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
 22 34  1  0  0  0  0
 18 35  1  0  0  0  0
  9 36  1  0  0  0  0
 13 37  1  0  0  0  0
 33 38  1  0  0  0  0
 31 39  1  0  0  0  0
 29 40  1  0  0  0  0
 29 41  1  0  0  0  0
  2 42  2  0  0  0  0
M  END
> <LM_ID>
LMPR01070973

> <COMMON_NAME>
3'-Hydroxy-epsilon-caroten-3-one

> <SYSTEMATIC_NAME>
3'-Hydroxy-epsilon,epsilon-caroten-3-one

> <FORMULA>
C40H54O2

> <MASS>
566.41

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OTHWKRBAHPOBSP-DKLMTRRASA-N

> <INCHI>
InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35,37-38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+

> <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/C2C(C)=CC(O)CC2(C)C)C(C)=CC1=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
145962

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14409079

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
26541886

$$$$