LMPR01070023
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0  0  0  0  0  0  0  0999 V2000
    1.6509   -7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6509   -8.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5230   -8.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3938   -8.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3938   -7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5230   -6.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394   -9.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2693   -6.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1383   -7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0121   -6.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8845   -7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7567   -6.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6305   -7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5027   -6.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3751   -7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2491   -6.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1213   -7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9935   -6.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8674   -7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7398   -6.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6121   -7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4860   -6.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3581   -7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2304   -6.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1045   -7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9766   -6.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0121   -5.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5027   -5.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8674   -8.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3581   -8.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8472   -7.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7245   -6.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7245   -5.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8472   -5.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9766   -5.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0289   -5.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6003   -5.1871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7751   -8.7233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9637   -4.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2413   -7.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234   -5.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8455   -8.2273    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  1  0     0  0
  5  6  1  0     0  0
  1  6  2  0     0  0
  4  7  1  0     0  0
  5  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
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 10 27  1  0     0  0
 14 28  1  0     0  0
 19 29  1  0     0  0
 23 30  1  0     0  0
 26 31  1  0     0  0
 31 32  2  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 26 35  1  0     0  0
 35 36  1  0     0  0
 33 37  1  6     0  0
  2 38  1  6     0  0
 35 39  1  0     0  0
  4 40  1  0     0  0
  6 41  1  0     0  0
 31 42  1  0     0  0
M  END
> <LM_ID>
LMPR01070023

> <COMMON_NAME>
Eschscholtzxanthin

> <SYSTEMATIC_NAME>
(3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol

> <FORMULA>
C40H54O2

> <MASS>
566.41

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DHHWDJUUTBWANN-WUEUEEBUSA-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/h11-26,35-36,41-42H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-/t35-,36-/m1/s1

> <SMILES>
C1=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=C2\C(C)(C)C[C@H](O)C=C\2C)/C(C)(C)C[C@@H]1O

> <KEGG_ID>
C08593

> <HMDB_ID>
-

> <CHEBI_ID>
4851

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281237

> <LIPIDBANK_ID>
VCA0021

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3467

> <CITATION>
-

$$$$