LMPR01070935
  LIPID_MAPS_STRUCTURE_DATABASE

 43 44  0     0  0            999 V2000
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   -3.9933  -12.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5080  -11.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587  -10.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255  -11.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0924  -10.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9593  -11.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8259  -10.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6928  -11.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5596  -10.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4265  -11.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2933  -10.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601  -11.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0269  -10.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8937  -11.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1918  -10.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9098   -9.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0587   -9.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8259   -9.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1267  -13.9730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8600  -12.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7736   -9.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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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 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
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 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
 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  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
  3 41  2  0     0  0
  2 42  1  0     0  0
 31 43  1  0     0  0
M  END
> <LM_ID>
LMPR01070935

> <COMMON_NAME>
alpha-Doradecin

> <SYSTEMATIC_NAME>
3,3'-Dihydroxy-2,3-didehydro-beta,epsilon-caroten-4-one

> <FORMULA>
C40H52O3

> <MASS>
580.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GZLGWYFZFJRQEC-ROKXECAJSA-N

> <INCHI>
InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,27,34-35,41-42H,26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+

> <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)C(=O)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119187

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7957

> <CITATION>
-

$$$$