View source for Mol:EEL3035

 
 
Copyright: ARM project http://www.metabolome.jp/ 
106106  0  0  0  0  0  0  0  0999 V2000 
   11.0575    1.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.8824    1.2888    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
   11.8824    2.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.7074    1.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.8824    0.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -15.0006   -1.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -15.4697   -0.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -15.0507    0.4603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -14.2146   -1.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -14.2438   -0.6112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -13.9912    0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -13.2768    0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -12.5626    0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -11.8482    0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -11.1338    0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -10.4194    0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -9.7050    0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.9908    0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.2764    0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.5620    0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.8477    0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1333    0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.4192    0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7046    0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9904    0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2758    0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -13.3805   -1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -12.6661   -1.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -11.9519   -1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -11.2376   -1.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -10.5232   -1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -9.8089   -1.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -9.0947   -1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.3801   -1.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.6657   -1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.9514   -1.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.2369   -1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.5230   -1.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8085   -1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0941   -1.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3796   -1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -12.5626    1.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -9.7050    1.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.8477    1.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -11.9519   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -9.0947   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.2369   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3796   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1869    1.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7682    0.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.2371   -0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.8184   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9823    0.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0113    0.0353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7589   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0444   -1.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3301   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6158   -1.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9015   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1871   -1.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4727   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7585   -1.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0440   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3297   -1.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6154   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9010   -1.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1867   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5277   -1.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2420   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7673   -1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1481    0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4336    0.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7195    0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0053    0.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2910    0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5765    0.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8621    0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1479    0.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4334    0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7190    0.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0046    0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2906    0.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4239    0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1383    0.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8528    0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3301   -2.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4727   -2.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6154   -2.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2420   -2.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7195   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8621   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0046   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8528   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5616    0.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0530   -1.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9904    1.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.4218    1.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1362    1.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.8507    1.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.8507    2.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   15.5652    1.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1362    0.4638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
  -13.3156   -2.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -14.2883   -2.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -15.2791   -2.5254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -15.5652   -1.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  2  3  2  0 
  2  4  1  0 
  2  5  1  0 
  6  7  1  0 
  7  8  1  0 
  6 10  1  0 
  6  9  1  0 
 11  8  1  0 
 12 11  1  0 
 13 12  1  0 
 14 13  1  0 
 15 14  1  0 
 16 15  1  0 
 17 16  1  0 
 18 17  1  0 
 19 18  1  0 
 20 19  1  0 
 21 20  1  0 
 22 21  1  0 
 23 22  1  0 
 24 23  1  0 
 25 24  1  0 
 26 25  1  0 
 28 27  1  0 
 29 28  1  0 
 30 29  1  0 
 31 30  1  0 
 32 31  1  0 
 33 32  1  0 
 34 33  1  0 
 35 34  1  0 
 36 35  1  0 
 37 36  1  0 
 38 37  1  0 
 39 38  1  0 
 40 39  1  0 
 41 40  1  0 
  9 27  1  0 
 13 42  1  0 
 17 43  1  0 
 21 44  1  0 
 29 45  1  0 
 33 46  1  0 
 37 47  1  0 
 41 48  1  0 
 49 50  1  0 
 50 51  1  0 
 51 52  1  0 
 50 54  1  0 
 50 53  1  0 
 55 52  1  0 
 56 55  1  0 
 57 56  1  0 
 58 57  1  0 
 59 58  1  0 
 60 59  1  0 
 61 60  1  0 
 62 61  1  0 
 63 62  1  0 
 64 63  1  0 
 65 64  1  0 
 66 65  1  0 
 67 66  1  0 
 68 67  1  0 
 69 68  1  0 
 72 71  1  0 
 73 72  1  0 
 74 73  1  0 
 75 74  1  0 
 76 75  1  0 
 77 76  1  0 
 78 77  1  0 
 79 78  1  0 
 80 79  1  0 
 81 80  1  0 
 82 81  1  0 
 83 82  1  0 
 84 83  1  0 
 85 84  1  0 
 53 71  1  0 
 57 86  1  0 
 61 87  1  0 
 65 88  1  0 
 69 89  1  0 
 73 90  1  0 
 77 91  1  0 
 81 92  1  0 
 85 93  1  0 
 41 70  1  0 
 26 94  1  0 
 70 95  1  0 
 85 94  1  0 
 69 95  1  0 
 49  1  1  0 
 25 96  1  0 
  4 97  1  0 
 97 98  1  0 
 98 99  1  0 
 99100  2  0 
 99101  1  0 
 98102  1  0 
103104  1  0 
105104  1  0 
  6106  1  0 
106105  1  0 
A  103 
Glc 
A  104 
Glc 
S  SKP  6 
AUTODRAW	FALSE 
ID	EEL3035 
FORMULA	C91H182NO11P 
EXACTMASS	1496.345052181 
AVERAGEMASS	1497.392681 
SMILES	CC(C1)CCC(CCCC(CCCC(CCCC(CCOCC([H])(OCCC(CCCC(CCCC(CCCC(CCC(CCCC(C)CCCC(CCCC(C)CCOCC(COP(OCC(N)C(O)=O)(O)=O)([H])OCCC(CCCC(CCCC(C)CC1)C)C)C)C)C)C)C)C)COCC)C)C)C)C 
M  END