LMPR01070481
  LIPID_MAPS_STRUCTURE_DATABASE

 45 44  0     0  0            999 V2000
    4.4144  -11.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2612  -10.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5949  -11.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3383  -11.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1851  -10.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0319  -11.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9285  -10.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7752  -11.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6221  -10.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4689  -11.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3655  -10.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2123  -11.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0591  -10.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0047   -9.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7752  -12.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5676   -9.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0808   -9.7706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9059  -11.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.4961  -10.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3927  -11.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2395  -10.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.0863  -12.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2937   -9.2788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9385   -9.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9526  -11.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2089  -12.7674    0.0000 C   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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  1 23  2  0     0  0
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 23 28  1  0     0  0
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 18 30  2  0     0  0
 30 31  1  0     0  0
 31 32  2  0     0  0
 32 33  1  0     0  0
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 32 38  1  0     0  0
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 39 45  1  0     0  0
M  END
> <LM_ID>
LMPR01070481

> <COMMON_NAME>
3,4,3',4'-Tetrahydrospirilloxanthin-20-al

> <SYSTEMATIC_NAME>
1,1'-Dimethoxy-1,2,1',2'-tetrahydro-psi,psi-caroten-20-al

> <FORMULA>
C42H62O3

> <MASS>
614.47

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PNTYNLHQUBJAGK-ZSYYIMSESA-N

> <INCHI>
InChI=1S/C42H62O3/c1-35(21-14-22-36(2)23-15-25-38(4)28-18-32-41(6,7)44-10)20-12-13-30-40(34-43)31-17-27-37(3)24-16-26-39(5)29-19-33-42(8,9)45-11/h12-17,20-27,30-31,34H,18-19,28-29,32-33H2,1-11H3/b13-12+,21-14+,23-15+,24-16+,31-17+,35-20+,36-22+,37-27+,38-25+,39-26+,40-30-

> <SMILES>
C(=C(/C)\CCCC(C)(C)OC)/C=C/C(/C)=C/C=C/C(/C=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(OC)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87442731

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1057

> <CITATION>
5602476

$$$$