LMPR01070795
  LIPID_MAPS_STRUCTURE_DATABASE

 44 45  0     0  0            999 V2000
    1.2608  -11.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2608  -12.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1278  -13.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9951  -12.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9951  -11.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1278  -11.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801  -11.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7474  -11.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6145  -11.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4817  -11.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3488  -11.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2160  -11.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0832  -11.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9503  -11.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8174  -11.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6846  -11.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5517  -11.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4190  -11.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2861  -11.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1533  -11.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0204  -11.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8876  -11.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6271  -10.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6285  -10.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7499  -11.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6026  -11.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4529  -11.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3044  -11.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1717  -11.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1718  -10.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3202   -9.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4530  -10.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8037  -12.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8050  -12.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5702   -9.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8876  -12.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4190  -12.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6145  -10.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0832  -10.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8616  -13.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1281  -14.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3204   -8.7637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3939  -13.2779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0291   -9.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
 22 25  1  0     0  0
 25 26  2  0     0  0
 27 26  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 27 32  2  0     0  0
 28 33  1  0     0  0
 28 34  1  0     0  0
 32 35  1  0     0  0
 22 36  1  0     0  0
 18 37  1  0     0  0
  9 38  1  0     0  0
 13 39  1  0     0  0
  4 40  1  0     0  0
  3 41  2  0     0  0
 31 42  2  0     0  0
  2 43  1  0     0  0
 30 44  1  0     0  0
M  END
> <LM_ID>
LMPR01070795

> <COMMON_NAME>
Astacene

> <SYSTEMATIC_NAME>
3,3'-Dihydroxy-2,3,2',3'-tetradehydro-beta,beta-carotene-4,4'-dione

> <FORMULA>
C40H48O4

> <MASS>
592.36

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FMKGDHLSXFDSOU-QISQUURKSA-N

> <INCHI>
InChI=1S/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-26,41-42H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+

> <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/C2=C(C)C(=O)C(O)=CC2(C)C)=C(C)C(=O)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20056473

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
43925

> <CITATION>
-

$$$$