LMPR01070026
  LIPID_MAPS_STRUCTURE_DATABASE

 41 42  0  0  0  0  0  0  0  0999 V2000
    6.9834    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6992    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4136    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1281    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8425    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5570    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2715    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9859    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7004    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4149    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1294    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8438    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5583    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2728    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6992    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2715    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1294    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2728    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9873    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7017    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7017    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9873    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5583    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3959    5.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5709    5.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5748    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3998    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.1350    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  5  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
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
  9 26  1  0  0  0  0
 13 27  1  0  0  0  0
 18 28  1  0  0  0  0
 22 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 25 34  1  0  0  0  0
  6 35  1  0  0  0  0
 30 36  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
 34 39  1  0  0  0  0
 34 40  1  0  0  0  0
  2 41  1  1  0  0  0
M  END
> <LM_ID>
LMPR01070026

> <COMMON_NAME>
Monoanhydroescholtzxanthin

> <SYSTEMATIC_NAME>


> <FORMULA>
C40H52O

> <MASS>
548.40

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MSJNXGZSUAPJJA-HRHORWMMSA-N

> <INCHI>
InChI=1S/C40H52O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-28,36,41H,29H2,1-10H3/b16-11+,17-12+,20-13+,21-14+,30-18+,31-19+,32-23+,33-24+,37-25+,38-26+/t36-/m0/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=CC=C\2C)/C(C)(C)C[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
192223

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061193

> <LIPIDBANK_ID>
VCA0024

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$