LMPR01070646
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
    2.6789  -12.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6789  -13.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4121  -13.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2966  -12.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1634  -12.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0299  -12.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8965  -12.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7631  -12.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6297  -12.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4963  -12.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3630  -12.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2295  -12.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0962  -12.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9627  -12.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8294  -12.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2959  -12.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451  -11.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0458  -11.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2921  -14.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1576  -12.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0097  -12.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8596  -12.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7104  -12.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5771  -12.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5772  -11.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.8596  -11.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2101  -13.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4963  -11.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5453  -15.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7263   -9.6427    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  1  0     0  0
  4  5  2  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
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 19 20  2  0     0  0
 20 21  1  0     0  0
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  6 23  1  0     0  0
  6 24  1  0     0  0
  4 25  1  0     0  0
 22 26  1  0     0  0
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 27 28  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  1  0     0  0
 28 33  2  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
  3 41  1  0     0  0
 32 42  1  0     0  0
M  END
> <LM_ID>
LMPR01070646

> <COMMON_NAME>
Isozeaxanthin

> <SYSTEMATIC_NAME>
beta,beta-Carotene-4,4'-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>
GYZWNQLEQAGWGD-DKLMTRRASA-N

> <INCHI>
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37-38,41-42H,25-28H2,1-10H3/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/C2=C(C)C(O)CCC2(C)C)=C(C)C(O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
176095

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11757703

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
114392; 191205; 882065

> <CITATION>
20709013

$$$$