LMPR01071048
  LIPID_MAPS_STRUCTURE_DATABASE

 44 45  0     0  0            999 V2000
    2.1380   -8.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1380   -9.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0497  -10.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9108   -9.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9108   -8.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0497   -8.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0497   -7.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2770   -8.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6836   -8.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5447   -8.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4058   -8.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2669   -8.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1280   -8.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0397   -8.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9008   -8.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7619   -8.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6228   -8.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4840   -8.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3957   -8.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2568   -8.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1179   -8.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9789   -8.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8400   -8.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8400   -9.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3957   -9.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5447   -7.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0397   -7.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7517   -8.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6128   -8.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4738   -8.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3351   -8.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1960   -8.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1960   -7.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3351   -6.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4738   -7.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3351   -9.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1078   -8.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7719   -8.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2874  -10.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0613   -6.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9265   -7.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0613   -5.6774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2959  -11.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4180   -9.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  2  0     0  0
  6  7  1  0     0  0
  1  8  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 19 25  1  0     0  0
 10 26  1  0     0  0
 14 27  1  0     0  0
 23 28  1  0     0  0
 28 29  2  0     0  0
 29 30  1  0     0  0
 30 31  2  0     0  0
 31 32  1  0     0  0
 32 33  2  0     0  0
 33 34  1  0     0  0
 34 35  2  0     0  0
 30 35  1  0     0  0
 31 36  1  0     0  0
 32 37  1  0     0  0
  9 38  2  0     0  0
 38  5  1  0     0  0
  2 39  1  0     0  0
 40 41  1  0     0  0
 33 40  1  0     0  0
 40 42  2  0     0  0
 39 43  1  0     0  0
 39 44  2  0     0  0
M  END
> <LM_ID>
LMPR01071048

> <COMMON_NAME>
Synechoxanthin

> <SYSTEMATIC_NAME>
(all-trans)-chi,chi-Carotene-18,18'-dioic acid

> <FORMULA>
C40H44O4

> <MASS>
588.32

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BFYXFUUHZKWAJW-TUOVYMBRSA-N

> <INCHI>
InChI=1S/C40H44O4/c1-27(15-11-17-29(3)19-21-35-23-25-37(39(41)42)33(7)31(35)5)13-9-10-14-28(2)16-12-18-30(4)20-22-36-24-26-38(40(43)44)34(8)32(36)6/h9-26H,1-8H3,(H,41,42)(H,43,44)/b10-9+,15-11+,16-12+,21-19+,22-20+,27-13+,28-14+,29-17+,30-18+

> <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/C2C=CC(C(=O)O)=C(C)C=2C)\C)=CC=C1C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44237248

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32049

> <CITATION>
18715035

$$$$