LMPR01070599
  LIPID_MAPS_STRUCTURE_DATABASE

 42 42  0     0  0            999 V2000
    1.2478   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2478  -10.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125  -11.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773  -10.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598   -9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7245   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5892   -9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4539   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3186   -9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1830   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0478   -9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9126   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7772   -9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6419   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5064   -9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3712   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2360   -9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1005   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9651   -9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8298   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6945   -9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5591   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4238   -9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2885   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1531   -9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0178   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8825   -9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7473   -9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5892   -8.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0478   -8.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3712  -10.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8298  -10.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2885  -10.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6232   -9.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7475  -10.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8331  -11.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3699  -11.3038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6053   -8.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6198   -8.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6051  -11.2995    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  2  0     0  0
  4  5  1  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
 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
 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
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
  9 31  1  0     0  0
 13 32  1  0     0  0
 18 33  1  0     0  0
 22 34  1  0     0  0
 26 35  1  0     0  0
 30 36  1  0     0  0
 30 37  1  0     0  0
  4 38  1  0     0  0
  2 39  1  0     0  0
  6 40  1  0     0  0
  6 41  1  0     0  0
 37 42  1  0     0  0
M  END
> <LM_ID>
LMPR01070599

> <COMMON_NAME>
alpha-Zeacarotene-3,17'-diol

> <SYSTEMATIC_NAME>
7',8'-Dihydro-epsilon,psi-carotene-3,17'-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>
WCOVBOMHPCOREG-ZXBPWADNSA-N

> <INCHI>
InChI=1S/C40H58O2/c1-31(18-12-20-33(3)21-13-22-34(4)23-15-25-36(6)30-41)16-10-11-17-32(2)19-14-24-35(5)26-27-39-37(7)28-38(42)29-40(39,8)9/h10-12,14,16-20,22,24-28,38-39,41-42H,13,15,21,23,29-30H2,1-9H3/b11-10+,18-12+,19-14+,27-26+,31-16+,32-17+,33-20+,34-22+,35-24+,36-25-

> <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)/CC/C=C(\C)/CC/C=C(\CO)/C)C(C)=CC1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119364

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
30991

> <CITATION>
-

$$$$