LMPR01070648
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
    2.4548  -10.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548  -11.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214  -11.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1881  -11.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1881  -10.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214   -9.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0727   -9.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9395  -10.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8061   -9.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6728  -10.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5395   -9.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4061  -10.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2728   -9.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1395  -10.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0061   -9.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8729  -10.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7395   -9.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6062  -10.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4729   -9.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3395  -10.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2062   -9.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0730  -10.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8210   -9.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8218   -9.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0681  -11.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9348   -9.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7870  -10.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6369   -9.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4878  -10.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3546   -9.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3547   -8.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5036   -8.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6370   -8.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9875  -11.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9882  -11.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7546   -8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0730  -11.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6062  -11.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8061   -8.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2728   -8.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5882  -11.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2184   -8.4271    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  1  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
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 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  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
  2 41  1  0     0  0
 31 42  1  0     0  0
M  END
> <LM_ID>
LMPR01070648

> <COMMON_NAME>
Parasiloxanthin

> <SYSTEMATIC_NAME>
7,8-Dihydro-beta,beta-carotene-3,3'-diol

> <FORMULA>
C40H58O2

> <MASS>
570.44

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZAYHYNGKERKFHJ-ZRVUQIMUSA-N

> <INCHI>
InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,22,24-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+

> <SMILES>
C1C(C)(C)C(CC/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)CC(O)CC2(C)C)=C(C)CC1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87445983

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
30991

> <CITATION>
-

$$$$