LMPR01070807
  LIPID_MAPS_STRUCTURE_DATABASE

 45 47  0     0  0            999 V2000
    2.5530  -10.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5530  -11.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012  -12.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2993  -11.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2993  -10.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1475  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0455  -10.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8936  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7418  -10.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6398  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4880  -10.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3361  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2343  -10.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0824  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9306  -10.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8287  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6769  -10.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5250  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4230  -10.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2712  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1194  -10.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9022   -9.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9001   -9.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0174  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8655  -10.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7138  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5620  -10.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4101  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4101   -9.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5620   -8.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7138   -9.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1194  -11.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6769  -11.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8936   -9.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3361   -9.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0630  -11.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0608  -11.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3081   -8.7122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012  -13.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8655   -8.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5620   -7.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1475  -12.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7049  -12.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4552  -11.5442    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
  8 45  1  0  0  0  0
  4 45  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070807

> <COMMON_NAME>
Astaxanthin 5,8-epoxide

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

> <FORMULA>
C40H52O5

> <MASS>
612.38

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XZMFRIYEAVHLIU-FKJGWRFPSA-N

> <INCHI>
InChI=1S/C40H52O5/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)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(OC2(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>
171119342

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
31588965

$$$$