LMPR01070631
  LIPID_MAPS_STRUCTURE_DATABASE

 41 42  0     0  0            999 V2000
   13.8979  -15.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7477  -14.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2974  -15.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1972  -14.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0471  -15.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8970  -14.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7468  -15.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5967  -14.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4466  -15.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3464  -14.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1963  -15.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0462  -14.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8960  -15.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7459  -14.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8960  -16.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   28.7456  -13.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5955  -13.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4453  -13.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4453  -12.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   27.8457  -11.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4484  -15.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4484  -16.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2983  -16.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1481  -16.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2983  -14.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7983  -13.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0480  -16.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5985  -16.6475    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
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
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 11 12  1  0     0  0
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 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 15 17  1  0     0  0
 11 18  1  0     0  0
  2 19  1  0     0  0
  6 20  1  0     0  0
 16 21  3  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 22 27  2  0     0  0
 23 28  1  0     0  0
 23 29  1  0     0  0
 27 30  1  0     0  0
 21 22  1  0     0  0
  1 31  2  0     0  0
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 34 35  1  0     0  0
 35 36  2  0     0  0
 36 37  1  0     0  0
 32 37  1  0     0  0
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 37 38  1  0     0  0
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M  END
> <LM_ID>
LMPR01070631

> <COMMON_NAME>
Anhydrodiatoxanthin

> <SYSTEMATIC_NAME>
(3R)-3',4',7',8'-Tetradehydro-beta,beta-caroten-3-ol

> <FORMULA>
C40H52O

> <MASS>
548.40

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HIEWDDDGAPECJM-VRIJQTGVSA-N

> <INCHI>
InChI=1S/C40H52O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-22,24,26,36,41H,27-29H2,1-10H3/b12-11+,18-13+,19-14+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1

> <SMILES>
C(=C/C1C(C)(C)C[C@H](O)CC=1C)\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C#CC1=C(C)C=CCC1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163031274

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
73025

> <CITATION>
-

$$$$