View source for Mol:EEL0246

 
 
Copyright: ARM project http://www.metabolome.jp/ 
105108  0  0  0  0  0  0  0  0999 V2000 
  -13.7575    2.8738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -12.6176    2.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -11.9833    3.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -11.2690    2.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -10.5546    3.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -9.8401    2.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1724    1.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.4580    1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7436    1.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0291    1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3146    1.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1392   -2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.4249   -1.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7104   -2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9958   -1.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2816   -2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -11.2690    1.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1724    0.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3146    0.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1392   -3.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2816   -3.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6003    1.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5670   -1.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1984   -0.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.5874   -1.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9283   -2.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0117   -0.0817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.2013   -1.0532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7886   -1.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1543   -2.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4399   -1.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7256   -2.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0109   -1.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2966   -2.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5821   -1.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8678   -2.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1533   -1.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4389   -2.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7245   -1.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0102   -2.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2957   -1.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4187   -2.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1333   -1.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1775    0.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5432    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8287    0.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1144    0.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3998    0.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6856    0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6909    1.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9767    1.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2621    1.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4525    1.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1668    1.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4398   -1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5819   -1.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7244   -1.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1335   -1.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8285    1.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6907    2.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1670    2.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8476   -2.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8813    1.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4247    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4247    0.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1385    0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8537    0.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8537    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.3237    1.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.3237    2.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.6099    3.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.8946    2.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.8946    1.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -9.0385    3.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -15.0763   -0.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -14.6053   -0.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -13.4186   -0.3434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -12.5844   -0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -11.9501   -0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -11.2357   -0.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -10.5213   -0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -9.8068   -0.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -9.0926   -0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -11.2357   -1.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -14.6767   -2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -13.8619   -2.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.2917   -1.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.2917   -0.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.5779   -0.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.8626   -0.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.8626   -1.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -14.9622    1.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -13.9789    0.5512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   12.6013    0.3787    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
   12.6013    1.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.4263    0.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.6013   -0.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.2513    0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.2513   -0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.0763   -0.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.2513   -1.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.0763   -1.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.6780    0.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.7136    0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -12.7998   -2.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0 
  3  2  1  0 
  4  3  1  0 
  5  4  1  0 
  6  5  1  0 
  8  7  1  0 
  9  8  1  0 
 10  9  1  0 
 11 10  1  0 
 13 12  1  0 
 14 13  1  0 
 15 14  1  0 
 16 15  1  0 
  4 17  1  0 
  7 18  1  0 
 11 19  1  0 
 12 20  1  0 
 16 21  1  0 
 11 22  1  0 
 16 23  1  0 
 24 25  1  0 
 25 26  1  0 
 24 28  1  0 
 24 27  1  0 
 29 26  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 
 42 41  1  0 
 43 42  1  0 
 45 44  1  0 
 46 45  1  0 
 47 46  1  0 
 48 47  1  0 
 49 48  1  0 
 51 50  1  0 
 52 51  1  0 
 53 52  1  0 
 54 53  1  0 
 27 44  1  0 
 31 55  1  0 
 35 56  1  0 
 39 57  1  0 
 43 58  1  0 
 46 59  1  0 
 50 60  1  0 
 54 61  1  0 
 43 62  1  0 
 54 63  1  0 
 22 63  1  0 
 23 62  1  0 
 64 65  1  0 
 65 66  1  0 
 66 67  1  0 
 67 68  1  0 
 64 68  1  0 
 50 64  1  0 
 49 67  1  0 
 69 70  1  0 
 70 71  1  0 
 71 72  1  0 
 72 73  1  0 
 69 73  1  0 
  7 73  1  0 
 70 74  1  0 
  6 74  1  0 
 75 76  1  0 
 76 77  1  0 
 79 78  1  0 
 80 79  1  0 
 81 80  1  0 
 82 81  1  0 
 83 82  1  0 
 77 78  1  0 
 80 84  1  0 
 75 85  1  0 
 85 86  1  0 
 87 88  1  0 
 88 89  1  0 
 89 90  1  0 
 90 91  1  0 
 87 91  1  0 
 83 88  1  0 
 12 91  1  0 
 76 92  1  0 
 76 93  1  0 
  1 92  1  0 
 94 95  2  0 
 94 96  1  0 
 94 97  1  0 
 96 98  1  0 
 98 99  1  0 
 99100  1  0 
 99101  1  0 
101102  1  0 
 94103  1  0 
 24104  1  0 
104103  1  0 
 86105  1  0 
A   86 
Gul 
A  105 
Man 
S  SKP  6 
AUTODRAW	FALSE 
ID	EEL0246 
FORMULA	C91H177O11P 
EXACTMASS	1477.302853016 
AVERAGEMASS	1478.346241 
SMILES	C(C3)OC(COP(OCC(O)CO)(O)=O)([H])COCCC(C)CCCC(C)CCCC(CCCC(C)CCC(CCCC(C)C(C1)CCC(CCCC(CCOC(COCC)([H])COCCC(C)CCCC(C4)CC(C4)C(C)CCCC(CCC(CCCC(C(C2)CCC2CCCC(C)3)C)C)C)C)1)C)C 
M  END