LMPR01070558
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
    0.9034  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034  -11.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540  -12.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6545  -11.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6545  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5051  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4056  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2562  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1067  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7083  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6089  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4594  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3099  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2104  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0610  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9116  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8121  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6626  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5132  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2537   -9.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2543   -9.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5051  -12.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4136  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2643  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5132  -11.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0610  -11.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2562   -9.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7083   -9.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1148  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0154  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8658  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0154  -11.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7164  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5669  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4174  -10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2680  -10.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4174  -11.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5204  -11.0408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0288  -12.0418    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  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
  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
 22 28  1  0     0  0
 18 29  1  0     0  0
  9 30  1  0     0  0
 13 31  1  0     0  0
 27 32  1  0     0  0
 32 33  2  0     0  0
 33 34  1  0     0  0
 33 35  1  0     0  0
 34 36  1  0     0  0
 36 37  1  0     0  0
 37 38  2  0     0  0
 38 39  1  0     0  0
 38 40  1  0     0  0
  5 41  1  0     0  0
  4 41  1  0     0  0
  2 42  1  0     0  0
M  END
> <LM_ID>
LMPR01070558

> <COMMON_NAME>
Rubixanthin 5,6-epoxide

> <SYSTEMATIC_NAME>
5,6-Epoxy-5,6-dihydro-beta,psi-caroten-3-ol

> <FORMULA>
C40H56O2

> <MASS>
568.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FGBDAGAJTWEHEF-HNNISBQLSA-N

> <INCHI>
InChI=1S/C40H56O2/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-40-38(8,9)29-37(41)30-39(40,10)42-40/h11-12,14-19,21-28,37,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+

> <SMILES>
C1C(C)(C)C2(OC2(C)CC1O)/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)/CC/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87443646

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32644

> <CITATION>
-

$$$$