LMPR01070800
  LIPID_MAPS_STRUCTURE_DATABASE

 44 45  0     0  0            999 V2000
    2.7685  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7685  -13.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6203  -14.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5222  -13.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5222  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6203  -12.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3740  -12.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2759  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1277  -12.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9794  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8813  -12.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5848  -12.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4868  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3385  -12.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1903  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0922  -12.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9440  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7958  -12.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6976  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5494  -12.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4012  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1193  -11.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1214  -11.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3031  -12.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1549  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0066  -12.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8584  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7102  -12.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7102  -11.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8584  -10.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0066  -11.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4012  -13.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9440  -13.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1277  -11.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5848  -11.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3574  -13.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3594  -13.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6121  -10.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6203  -15.2715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1549  -10.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8584   -9.7600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3740  -14.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167  -14.2694    0.0000 O   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
 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  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 27 32  2  0     0  0
 22 33  1  0     0  0
 18 34  1  0     0  0
  9 35  1  0     0  0
 13 36  1  0     0  0
 28 37  1  0     0  0
 28 38  1  0     0  0
 30 39  1  0     0  0
  3 40  2  0     0  0
 32 41  1  0     0  0
 31 42  2  0     0  0
  4 43  1  0     0  0
  2 44  1  0     0  0
M  END
> <LM_ID>
LMPR01070800

> <COMMON_NAME>
Astaxanthin

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

> <FORMULA>
C40H52O4

> <MASS>
596.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MQZIGYBFDRPAKN-QISQUURKSA-N

> <INCHI>
InChI=1S/C40H52O4/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/h11-24,35-36,41-42H,25-26H2,1-10H3/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)C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5368397

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6645; 44745; 44155

> <CITATION>
7579184

$$$$