LMPR01070081
  LIPID_MAPS_STRUCTURE_DATABASE

 41 42  0     0  0            999 V2000
    6.9266    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7209    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5869    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4529    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3189    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1849    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0510    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9169    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7830    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6490    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5151    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3810    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2471    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1849    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6490    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1131    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9792    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9792   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1131   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2471   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4266    9.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4265    9.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3810   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6131    7.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6131    7.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
  9 26  1  0  0  0  0
 13 27  1  0  0  0  0
 18 28  1  0  0  0  0
 22 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 25 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  5 37  1  0  0  0  0
  4 41  2  0  0  0  0
 34 38  1  0  0  0  0
 30 39  1  0  0  0  0
 30 40  1  0  0  0  0
 25 24  1  1  0  0  0
M  END
> <LM_ID>
LMPR01070081

> <COMMON_NAME>
alpha-Echinenone

> <SYSTEMATIC_NAME>
beta-epsilon-caroten-4-one

> <FORMULA>
C40H54O

> <MASS>
550.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Phoenicopterone

> <INCHI_KEY>
ZRXISZZQHKYPQA-GMKWGACXSA-N

> <INCHI>
InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-26,36H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m0/s1

> <SMILES>
C1(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/[C@H]2C(C)=CCCC2(C)C)=C(C)C(=O)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061223

> <LIPIDBANK_ID>
VCA0079

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
278036; 9217

> <CITATION>
-

$$$$