LMPR01071035
  LIPID_MAPS_STRUCTURE_DATABASE

 44 45  0     0  0            999 V2000
    6.2070  -12.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0627  -12.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9184  -12.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7741  -12.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6801  -12.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5358  -12.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4418  -12.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2975  -12.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1532  -12.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0592  -12.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9149  -12.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7706  -12.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6264  -12.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5827  -12.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4384  -12.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4384  -13.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9149  -13.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0627  -11.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5358  -11.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3513  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4453  -12.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5896  -12.3414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4453  -13.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5896  -14.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8916  -15.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8983  -15.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2003  -14.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5829  -14.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8849  -15.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3010  -13.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4520  -16.3179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2941  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1498  -12.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0055  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0055  -11.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8108  -12.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8612  -10.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6095   -9.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6028   -9.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2505  -10.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0491   -8.9186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3008  -12.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7169  -10.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8175  -11.0327    0.0000 C   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
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 11 17  1  0     0  0
  2 18  1  0     0  0
  6 19  1  0     0  0
  1 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 21 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 23 27  1  0     0  0
 24 28  1  0     0  0
 24 29  1  0     0  0
 23 30  1  0     0  0
 26 31  2  0     0  0
 15 32  1  0     0  0
 32 33  2  0     0  0
 33 34  1  0     0  0
 34 36  2  0     0  0
 35 34  1  0     0  0
 35 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 35 40  1  0     0  0
 39 41  2  0     0  0
 35 42  1  0     0  0
 37 43  1  0     0  0
 37 44  1  0     0  0
M  END
> <LM_ID>
LMPR01071035

> <COMMON_NAME>
Capsorubone

> <SYSTEMATIC_NAME>
kappa,kappa-Carotene-3,6,3',6'-tetrone

> <FORMULA>
C40H52O4

> <MASS>
596.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YOYRSOYUXNJBMN-DKLMTRRASA-N

> <INCHI>
InChI=1S/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+

> <SMILES>
C(=C/C(C1(C)CC(=O)CC1(C)C)=O)\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C=C\C(C1(C)CC(=O)CC1(C)C)=O)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12302423

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4072

> <CITATION>
-

$$$$