LMPR01070171
  LIPID_MAPS_STRUCTURE_DATABASE

 41 41  0     0  0            999 V2000
    7.7864    8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6562    9.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5262    8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3960    9.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2659    8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1357    9.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0056    8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8756    9.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7454    8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6152    9.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4851    8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3550    9.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2249    8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0948    9.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9647    8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8345    9.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7043    8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5743    9.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4442    8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3140    9.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3960   10.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8756   10.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2249    7.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7043    7.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9235    9.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9235    7.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7864    7.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1769    8.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0328    9.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6458    7.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0641    9.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7830    9.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1769    7.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8922    8.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7515    9.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6110    8.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6110    7.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4704    9.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9235    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
  4 21  1  0  0  0  0
  8 22  1  0  0  0  0
 13 23  1  0  0  0  0
 17 24  1  0  0  0  0
 25  1  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  1  2  0  0  0  0
 30 20  2  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 25 33  1  0  0  0  0
 25 34  1  0  0  0  0
 30 35  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 28 41  2  0  0  0  0
M  END
> <LM_ID>
LMPR01070171

> <COMMON_NAME>
4-Keto-gamma-carotene

> <SYSTEMATIC_NAME>
beta,psi-Caroten-4-one

> <FORMULA>
C40H54O

> <MASS>
550.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Keto-gamma-carotene

> <INCHI_KEY>
BRKQDNOGSHYATK-HNNISBQLSA-N

> <INCHI>
InChI=1S/C40H54O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(8)39(41)29-30-40(38,9)10/h11-12,14-19,21-28H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+

> <SMILES>
C1(=C(C)C(=O)CCC1(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)/CC/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061281

> <LIPIDBANK_ID>
VCA1089

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$