LMPR01070025
  LIPID_MAPS_STRUCTURE_DATABASE

 40 41  0  0  0  0  0  0  0  0999 V2000
    6.9266    9.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7209    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5869    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4529    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3189    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1849    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0510    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9169    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7830    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6490    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5151    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3810    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2471    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1849    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6490    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2471    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1131    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9792    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9792    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1131    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    9.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3810    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4266    6.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4265    6.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6131    8.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6131    8.9266    0.0000 C   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  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
M  END
> <LM_ID>
LMPR01070025

> <COMMON_NAME>
Anhydroeschscholtzxanthin

> <SYSTEMATIC_NAME>
2,3,2',3',4',5'-Hexadehydro-4,5'-retro-beta,beta-carotene

> <FORMULA>
C40H50

> <MASS>
530.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PWZXLDMNUZDPKS-VDISQYCASA-N

> <INCHI>
InChI=1S/C40H50/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-30H,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27+,38-28+

> <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=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061192

> <LIPIDBANK_ID>
VCA0023

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3467

> <CITATION>
-

$$$$