Mol:FL7AACGL0120

From Metabolomics.JP
(Difference between revisions)
Jump to: navigation, search
 
Line 275: Line 275:
 
ID FL7AACGL0120  
 
ID FL7AACGL0120  
 
KNApSAcK_ID  
 
KNApSAcK_ID  
−
NAME  
+
NAME OVA 1
 
CAS_RN 865377-14-6  
 
CAS_RN 865377-14-6  
 
FORMULA C80H89O46  
 
FORMULA C80H89O46  

Latest revision as of 13:41, 5 December 2012

FL7AACGL0120.png 

 
 
Copyright: ARM project http://www.metabolome.jp/ 
128139  0  0  0  0  0  0  0  0999 V2000 
   -1.6429    3.6987   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6429    4.5237   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3574    3.2862   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1139    3.0180   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0313    0.7182   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9285    4.9362   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3574    4.9362   -2.4048 O   0  3  0  0  0  6  0  0  0  0  0  0 
   -3.0719    3.6987   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1139    2.1930   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7458    0.3058   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9285    5.7612   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2139    4.5237   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0719    4.5237   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7863    3.2862   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8284    1.7805   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3994    1.7805   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7458   -0.5193   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4603    0.7183   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2139    6.1737   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5006    4.9362   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7863    4.9362   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7863    2.4611   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5009    3.6987   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8284    0.9555   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4603   -0.9318   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3027   -0.7750   -2.4048 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5006    5.7612   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2139    6.9987   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5009    4.5237   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5428    0.5429   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4603   -1.7568   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9033   -0.6760   -2.4048 H   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2150    6.1737   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2153    4.9362   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5428   -0.2820   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2573    0.9555   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1748   -2.1693   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7458   -2.1693   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2573   -0.6945   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9719    0.5429   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1748   -2.9943   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7458   -2.9943   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9719   -0.2820   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2573   -1.5196   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4603   -3.4068   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.4529    4.0007   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6863   -0.6945   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4603   -4.2318   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9012    3.2867   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9012    4.1117   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6157    4.5242   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1868    4.5242   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6157    5.3492   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3302    5.7617   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3302    6.5868   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0446    5.3492   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0446    6.9993   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7592    5.7617   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7592    6.5868   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0446    7.8243   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4736    6.9993   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.1674    4.4132   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.8818    4.0007   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.5963    4.4132   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -9.3108    4.0007   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.1674    5.2382   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.5963    5.2382   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.5560    2.8495   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1435    2.1351   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3454    2.3442   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5522    2.1351   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9646    2.8495   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7627    2.6405   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7620    1.7608   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.3529    2.6360   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.9685    2.1351   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.4702    3.3063   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7974   -7.0274   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0830   -6.6149   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2921   -5.8168   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0830   -5.0236   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7974   -5.4360   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5884   -6.2341   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7087   -5.2334   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5839   -7.8243   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0830   -7.4399   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3029   -6.6466   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.5164   -7.4435   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6705    3.1454   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1679    0.7526   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3430    0.7527   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1250    1.5484   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5473    2.1308   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3722    2.1308   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5902    1.3351   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3280    1.7619   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3814   -0.0443   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7555    0.0382   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4153    1.3352   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5224    0.9787    2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2504    0.9787    2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3049    0.4415    2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4949   -0.3122    2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2677   -0.3123    2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7123    0.2251    2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3242    0.2251    2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4804   -1.1061    2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9245    0.1125   -1.9751 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2914    1.8876   -1.9751 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6222    2.2739   -1.9751 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8345    1.5311   -1.9751 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6222    0.7834   -1.9751 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2914    0.3969   -1.9751 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0791    1.1400   -1.9751 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2727    2.6485   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6090    0.8340   -1.9751 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3676   -0.6372   -1.9751 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.2221    4.2734   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9365    4.6859   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7274    5.4840   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9365    6.2772   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.2221    5.8648   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4311    5.0667   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3108    6.0674   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4356    3.4765   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9365    3.8609   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7166    4.6542   -2.4048 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5031    3.8573   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  1  3  2  0 
  2  6  1  0 
  2  7  2  0 
  3  8  1  0 
  4  9  2  0 
  5 10  1  0 
  6 11  1  0 
  6 12  2  0 
  7 13  1  0 
  8 13  2  0 
  8 14  1  0 
  9 15  1  0 
  9 16  1  0 
 10 17  1  0 
 10 18  2  0 
 11 19  2  0 
 12 20  1  0 
 13 21  1  0 
 14 22  1  0 
 14 23  2  0 
 15 24  2  0 
 17 25  2  0 
 17 26  1  0 
 19 27  1  0 
 19 28  1  0 
 20 27  2  0 
 21 29  2  0 
 23 29  1  0 
 24 30  1  0 
 25 31  1  0 
 25 32  1  0 
 27 33  1  0 
 29 34  1  0 
 30 35  1  0 
 30 36  2  0 
 31 37  1  0 
 31 38  2  0 
 35 39  2  0 
 36 40  1  0 
 37 41  2  0 
 38 42  1  0 
 39 43  1  0 
 39 44  1  0 
 40 43  2  0 
 41 45  1  0 
 42 45  2  0 
 43 47  1  0 
 45 48  1  0 
 49 50  1  0 
 50 51  1  0 
 50 52  2  0 
 51 53  2  0 
 53 54  1  0 
 54 55  1  0 
 54 56  2  0 
 55 57  2  0 
 56 58  1  0 
 57 59  1  0 
 57 60  1  0 
 58 59  2  0 
 59 61  1  0 
 46 62  1  0 
 62 63  1  0 
 63 64  1  0 
 64 65  1  0 
 62 66  2  0 
 64 67  2  0 
 68 69  1  1 
 70 69  1  1 
 71 70  1  1 
 71 72  1  0 
 72 73  1  0 
 73 68  1  0 
 70 74  1  0 
 68 75  1  0 
 69 76  1  0 
 73 77  1  0 
 46 77  1  0 
 22 71  1  0 
 78 79  1  1 
 80 79  1  1 
 81 80  1  1 
 81 82  1  0 
 82 83  1  0 
 83 78  1  0 
 80 84  1  0 
 78 85  1  0 
 79 86  1  0 
 83 87  1  0 
 87 88  1  0 
 48 81  1  0 
 90 91  1  1 
 92 91  1  1 
 93 92  1  1 
 93 94  1  0 
 94 95  1  0 
 95 90  1  0 
 93 89  1  0 
 92 96  1  0 
 90 97  1  0 
 91 98  1  0 
 95 99  1  0 
100101  1  0 
101102  1  1 
102103  1  1 
104103  1  1 
104105  1  0 
105100  1  0 
105106  1  0 
104107  1  0 
 96101  1  0 
  5 99  1  0 
 89  1  1  0 
 16100  1  0 
109110  1  0 
110111  1  1 
111112  1  1 
113112  1  1 
113114  1  0 
114109  1  0 
109115  1  0 
114116  1  0 
113117  1  0 
112108  1  0 
108 47  1  0 
 49110  1  0 
118119  1  1 
120119  1  1 
121120  1  1 
121122  1  0 
122123  1  0 
123118  1  0 
120124  1  0 
118125  1  0 
119126  1  0 
123127  1  0 
127128  1  0 
 61121  1  0 
M  CHG  1   7   1 
S  SKP  9 
AUTODRAW	FALSE 
ID	FL7AACGL0120 
KNApSAcK_ID	 
NAME	 OVA 1 
CAS_RN	865377-14-6 
FORMULA	C80H89O46 
EXACTMASS	1785.46250046 
AVERAGEMASS	1786.5350600000002 
SMILES	OC(C(Oc(c2)c(c4)c([o+1]c(c4OC(C(OC(C(OC(C=Cc(c%12)ccc(c%12O)OCC(O9)C(C(O)C(C9OC(C=Cc(c%11)ccc(c%11O)OC(O%10)C(C(C(O)C%10CO)O)O)=O)O)O)=O)8)OCC(C8O)O)5)OC(COC(C(=C(c(c6)ccc(OC(C7O)OC(CO)C(C7O)O)c6)[H])[H])=O)C(O)C5O)c(c3)cc(O)c(O)c3)cc2O)1)C(C(C(COC(CC(O)=O)=O)O1)O)O 
M  END
Retrieved from "http://metabolomics.jp/mediawiki/index.php?title=Mol:FL7AACGL0120&oldid=303888"
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox