LMPR01070809
  LIPID_MAPS_STRUCTURE_DATABASE

 46 48  0     0  0            999 V2000
    3.1124  -11.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1124  -12.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9694  -13.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8768  -12.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8768  -11.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9694  -11.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7338  -11.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6411  -11.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4980  -11.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3550  -11.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2623  -11.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1193  -11.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9762  -11.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8837  -11.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7406  -11.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5976  -11.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5050  -11.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3620  -11.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2189  -11.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1262  -11.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9832  -11.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8401  -11.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653  -10.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4735  -10.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7475  -11.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6044  -11.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4615  -11.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3184  -11.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1754  -11.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1754  -10.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3184   -9.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4615  -10.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8401  -12.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3620  -12.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4980  -10.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9762  -10.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8143  -12.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8224  -12.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0827   -9.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9694  -14.1742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6044   -9.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3184   -8.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9464  -13.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555  -13.1659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8054  -12.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6110  -12.5139    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  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 22 33  1  0  0  0  0
 18 34  1  0  0  0  0
  9 35  1  0  0  0  0
 13 36  1  0  0  0  0
 28 37  1  0  0  0  0
 28 38  1  0  0  0  0
 30 39  1  0  0  0  0
  3 40  2  0  0  0  0
 32 41  1  0  0  0  0
 31 42  2  0  0  0  0
  4 43  1  0  0  0  0
  2 44  1  0  0  0  0
  4 45  1  0  0  0  0
  8 46  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070809

> <COMMON_NAME>
Astaxanthin-5,8-peroxide

> <SYSTEMATIC_NAME>
5,8-Peroxy-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione

> <FORMULA>
C40H52O6

> <MASS>
628.38

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YVHULOQDQKPUQB-FKJGWRFPSA-N

> <INCHI>
InChI=1S/C40H52O6/c1-26(17-13-18-28(3)21-22-31-30(5)36(43)32(41)24-38(31,6)7)15-11-12-16-27(2)19-14-20-29(4)34-23-35-39(8,9)25-33(42)37(44)40(35,10)46-45-34/h11-23,32-34,41-42H,24-25H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,26-15+,27-16+,28-18+,29-20+

> <SMILES>
C1C(C)(C)C2=CC(OOC2(C)C(=O)C1O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)C(O)CC1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119344

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
31588965

$$$$