LMPR01070462
  LIPID_MAPS_STRUCTURE_DATABASE

 41 41  0     0  0            999 V2000
    5.2495   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0955   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9912   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8373   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6832   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5790   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4249   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1666   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8586   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7542   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6002   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4462   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2921   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1879   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0338   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8799   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8373   -6.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708   -6.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6002   -9.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0338   -9.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4036   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5078   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6619   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8159   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4036   -6.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202   -6.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7258   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6215   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4675   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3134   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2092   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0552   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9011   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7969   -7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4675   -9.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9011   -9.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0751   -8.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202   -8.8574    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
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
  4 19  1  0     0  0
  8 20  1  0     0  0
 13 21  1  0     0  0
 17 22  1  0     0  0
  1 23  2  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 23 28  1  0     0  0
 27 29  1  0     0  0
 18 30  1  0     0  0
 30 31  1  0     0  0
 31 32  2  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  2  0     0  0
 36 37  1  0     0  0
 32 38  1  0     0  0
 36 39  1  0     0  0
 27 40  1  0     0  0
 27 41  1  0     0  0
 26 41  1  0     0  0
M  END
> <LM_ID>
LMPR01070462

> <COMMON_NAME>
zeta-Carotene epoxide

> <SYSTEMATIC_NAME>
1,2-Epoxy-1,2,7,8,7',8'-hexahydro-psi,psi-carotene

> <FORMULA>
C40H60O

> <MASS>
556.46

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WQKGZVZKMBRSEI-KZFHKLGSSA-N

> <INCHI>
InChI=1S/C40H60O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14-15,18-20,22-26,29,39H,13,16-17,21,27-28,30-31H2,1-10H3/b12-11+,22-14+,23-15+,33-19+,34-20+,35-24+,36-25+,37-26+,38-29+

> <SMILES>
C(=C(/C)\CCC1OC1(C)C)/CC/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(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14192314

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4081

> <CITATION>
-

$$$$