LMPR01070921
  LIPID_MAPS_STRUCTURE_DATABASE

 41 43  0     0  0            999 V2000
    2.7986  -10.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7986  -11.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503  -12.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021  -11.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021  -10.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503  -10.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3714  -10.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2233  -10.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750  -10.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9267  -10.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7785  -10.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6302  -10.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4818  -10.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3336  -10.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1853  -10.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0372  -10.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8889  -10.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7407  -10.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5924  -10.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4442  -10.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2959  -10.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1477  -10.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1585   -9.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1420   -9.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3669  -12.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9947  -10.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8323  -10.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6675  -10.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5038  -10.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3556  -10.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3556   -9.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5193   -8.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6675   -9.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0120  -11.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9955  -11.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8005   -8.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1477  -11.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7407  -11.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750   -9.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4818   -9.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2221  -11.7991    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  2  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  2  0     0  0
 28 33  1  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
  4 41  1  0     0  0
  8 41  1  0     0  0
M  END
> <LM_ID>
LMPR01070921

> <COMMON_NAME>
Flavochrome

> <SYSTEMATIC_NAME>
5,8-Epoxy-5,8-dihydro-beta,epsilon-carotene

> <FORMULA>
C40H56O

> <MASS>
552.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QWVMSYBGKWZIIE-FZKBJVJCSA-N

> <INCHI>
InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-25,29,35-36H,15-16,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+

> <SMILES>
C1C(C)(C)C2=CC(OC2(C)CC1)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)=CCCC1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6443299

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
41496

> <CITATION>
13198857

$$$$