LMPR01070601
  LIPID_MAPS_STRUCTURE_DATABASE

 35 36  0     0  0            999 V2000
   -3.7143    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5803    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5803    2.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7143    1.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482    2.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1162    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2502    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4818    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3479    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2139    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0798    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9459    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8120    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6780    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5439    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822    1.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2143    4.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2143    4.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2502    4.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2139    4.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5439    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482    1.1428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7143    2.6428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4100    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2761    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1420    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0080    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8741    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7402    3.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6061    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0080    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8741    4.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  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
  7  8  2  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
  6  7  1  0  0  0  0
  5 19  1  6  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  9 22  1  0  0  0  0
 13 23  1  0  0  0  0
 18 24  1  0  0  0  0
  5 25  1  1  0  0  0
  3 26  1  1  0  0  0
  6 26  1  1  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 18 27  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  2  0  0  0  0
M  END
> <LM_ID>
LMPR01070601

> <COMMON_NAME>
Ditaxanthin

> <SYSTEMATIC_NAME>
Methyl-3,6-epoxy-5-hydroxy-4,5-dihydro-8'-apo-epsilon,psi-caroten-8'-oate

> <FORMULA>
C31H42O4

> <MASS>
478.31

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LTYWXDKNOZKXJR-UXMQVZHISA-N

> <INCHI>
InChI=1S/C31H42O4/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(32)34-8)15-11-16-25(3)19-20-31-29(5,6)21-27(35-31)22-30(31,7)33/h9-20,27,33H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,20-19+,23-13+,24-14+,25-16+,26-18+/t27-,30-,31+/m0/s1

> <SMILES>
C1(C)(C)[C@]2(O[C@H](C[C@@]2(O)C)C1)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(\C)/C(=O)OC)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16083084

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3018710

> <CITATION>
16933864

$$$$