LMPR01070634
  LIPID_MAPS_STRUCTURE_DATABASE

 41 42  0     0  0            999 V2000
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   -0.2863  -11.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5803  -11.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4469  -11.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3135  -11.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1801  -11.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0466  -11.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9133  -11.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7798  -11.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6465  -11.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5131  -11.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1276  -11.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2767   -9.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4101  -10.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7606  -12.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612  -12.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3797  -12.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0466  -10.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6372  -13.0191    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
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 13 14  2  0     0  0
 14 15  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
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 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
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 28 33  2  0     0  0
 29 34  1  0     0  0
 29 35  1  0     0  0
 33 36  1  0     0  0
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  9 39  1  0     0  0
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  2 41  1  1     0  0
M  END
> <LM_ID>
LMPR01070634

> <COMMON_NAME>
Anhydrolutein III

> <SYSTEMATIC_NAME>
(3R)-3',4'-Didehydro-beta,beta-caroten-3-ol

> <FORMULA>
C40H54O

> <MASS>
550.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Deoxylutein I

> <INCHI_KEY>
BMQNSHDVIYZULR-FKKUPVFPSA-N

> <INCHI>
InChI=1S/C40H54O/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/h11-26,36,41H,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1

> <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=CCC2(C)C)=C(C)C[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11341854

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
8548012

$$$$