LMPR01070774
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
    2.3786  -11.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3786  -12.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451  -12.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1117  -12.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1117  -11.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451  -10.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961  -10.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8628  -11.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7293  -10.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5958  -11.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625  -10.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3290  -11.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1954  -10.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0621  -11.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9286  -10.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7952  -11.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6617  -10.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5283  -11.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3948  -10.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2614  -11.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1279  -10.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9945  -11.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448   -9.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7454   -9.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916  -12.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8563  -10.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7084  -11.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5582  -10.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4090  -11.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2756  -10.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2757   -9.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4248   -9.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5582   -9.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9087  -12.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9093  -12.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6760   -9.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9945  -12.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5283  -12.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7293   -9.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1954   -9.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5066  -10.6540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1387  -11.1507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  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
 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  1  0     0  0
 28 33  2  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
  1 41  2  0     0  0
 30 42  1  0     0  0
M  END
> <LM_ID>
LMPR01070774

> <COMMON_NAME>
2'-Hydroxy-2-keto-3,4-didehydro-beta-carotene

> <SYSTEMATIC_NAME>
2'-Hydroxy-3,4-didehydro-beta,beta-caroten-2-one

> <FORMULA>
C40H52O2

> <MASS>
564.40

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MEGJFBMZAFAOIJ-RIRRTMASSA-N

> <INCHI>
InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-25-35-33(5)23-27-37(41)39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-26-36-34(6)24-28-38(42)40(36,9)10/h11-23,25-27,38,42H,24,28H2,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+

> <SMILES>
C1(=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=C/C2=C(C)CCC(O)C2(C)C)=C(C)C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14523232

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7024

> <CITATION>
-

$$$$