LMPR01070969
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
   14.9050  -15.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9050  -16.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7716  -16.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6383  -16.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6383  -15.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7716  -14.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5229  -14.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3896  -15.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2563  -14.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1229  -15.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9897  -14.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8564  -15.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7229  -14.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5897  -15.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4563  -14.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3231  -15.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1896  -14.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0563  -15.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9231  -14.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7897  -15.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6563  -14.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5231  -15.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2712  -14.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2720  -14.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5183  -16.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3850  -14.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2371  -15.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0871  -14.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9381  -15.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8047  -14.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8048  -13.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9538  -13.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0871  -13.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4376  -16.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4383  -16.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2048  -13.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5231  -16.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0563  -16.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2563  -13.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7229  -13.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0384  -16.9577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.6685  -13.4523    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  2  0     0  0
  4  5  1  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
  4 25  1  0     0  0
 22 26  1  0     0  0
 26 27  2  0     0  0
 28 27  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
 32 33  2  0     0  0
 28 33  1  0     0  0
 29 34  1  0     0  0
 29 35  1  0     0  0
 33 36  1  0     0  0
 22 37  1  0     0  0
 18 38  1  0     0  0
  9 39  1  0     0  0
 13 40  1  0     0  0
  2 41  1  0     0  0
 31 42  1  0     0  0
M  END
> <LM_ID>
LMPR01070969

> <COMMON_NAME>
Tunaxanthin

> <SYSTEMATIC_NAME>
epsilon,epsilon-Carotene-3,3'-diol

> <FORMULA>
C40H56O2

> <MASS>
568.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BIPAHAFBQLWRMC-DKLMTRRASA-N

> <INCHI>
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+

> <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/C2C(C)=CC(O)CC2(C)C)C(C)=CC1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6384258

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8237

> <CITATION>
-

$$$$