LMPR01070152
  LIPID_MAPS_STRUCTURE_DATABASE

 42 41  0     0  0            999 V2000
    6.7091    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5747    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4406    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3062    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1718    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0377    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7689    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6347    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5004    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3660    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2318    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0975    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9632    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8289    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6945    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5603    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4259    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2916    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1572    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0230    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8887    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7543    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6201    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4858    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3514    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2170    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0829    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9485    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8141    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6800    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0377    9.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5004    9.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9632    9.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2916    7.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7543    7.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2170    7.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5456    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5747    9.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6800    7.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7091    9.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4406    7.0230    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
  6 32  1  0  0  0  0
 10 33  1  0  0  0  0
 14 34  1  0  0  0  0
 19 35  1  0  0  0  0
 23 36  1  0  0  0  0
 27 37  1  0  0  0  0
 31 38  1  0  0  0  0
  2 39  1  0  0  0  0
 31 40  1  0  0  0  0
  2 41  1  0  0  0  0
  3 42  2  0  0  0  0
M  END
> <LM_ID>
LMPR01070152

> <COMMON_NAME>
Demethylspheroidenone

> <SYSTEMATIC_NAME>
1-Hydroxy-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-caroten-2-one

> <FORMULA>
C40H56O2

> <MASS>
568.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YXTRGWPAUSOLAD-HMSUWCNJSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061268

> <LIPIDBANK_ID>
VCA1070

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1061

> <CITATION>
-

$$$$