LMPR01070518
  LIPID_MAPS_STRUCTURE_DATABASE

 41 41  0     0  0            999 V2000
    2.0432  -10.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0432  -11.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8930  -11.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7925  -11.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7925  -10.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8930   -9.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6423   -9.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420  -10.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916   -9.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2413  -10.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1410   -9.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9906  -10.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8403   -9.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399  -10.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5897   -9.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4392  -10.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3389   -9.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1886  -10.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0383   -9.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9379  -10.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7876   -9.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6373  -10.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931   -9.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3927   -9.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6423  -11.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5369   -9.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3867  -10.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6373  -11.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1886  -11.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916   -8.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8403   -8.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2363   -9.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2903   -9.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1694  -11.9340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1578  -10.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0203   -9.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8881  -10.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7505   -9.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2875   -8.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7451   -8.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6266  -10.4171    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
  2 34  1  1     0  0
 33 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  2  0     0  0
 33 39  1  0     0  0
 38 40  1  0     0  0
 38 41  1  0     0  0
M  END
> <LM_ID>
LMPR01070518

> <COMMON_NAME>
Gazaniaxanthin

> <SYSTEMATIC_NAME>
(3R,5'Z)-beta,psi-Caroten-3-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>
ABTRFGSPYXCGMR-KRKGTFTGSA-N

> <INCHI>
InChI=1S/C40H56O/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)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,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+/t38-/m1/s1

> <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)\CC/C=C(/C)\C)=C(C)C[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21764388

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
74646

> <CITATION>
10725157

$$$$