Mol:FL5FADGS0026
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 66 72 0 0 0 0 0 0 0 0999 V2000 | + | 66 72 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2.5124 2.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5124 2.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.4771 -1.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4771 -1.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8917 -2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8917 -2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4563 -2.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4563 -2.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0942 -2.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0942 -2.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8560 -3.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8560 -3.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3128 -3.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3128 -3.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.6822 -3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6822 -3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8958 -4.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8958 -4.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.6372 -3.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6372 -3.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.1431 -3.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1431 -3.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.5359 -4.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5359 -4.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4470 -4.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4470 -4.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2310 -3.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2310 -3.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 37 45 1 0 0 0 0 | + | 37 45 1 0 0 0 0 |
| − | 38 31 1 0 0 0 0 | + | 38 31 1 0 0 0 0 |
| − | 46 47 1 1 0 0 0 | + | 46 47 1 1 0 0 0 |
| − | 47 48 1 1 0 0 0 | + | 47 48 1 1 0 0 0 |
| − | 49 48 1 1 0 0 0 | + | 49 48 1 1 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 46 1 0 0 0 0 | + | 51 46 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 46 54 1 0 0 0 0 | + | 46 54 1 0 0 0 0 |
| − | 47 55 1 0 0 0 0 | + | 47 55 1 0 0 0 0 |
| − | 48 56 1 0 0 0 0 | + | 48 56 1 0 0 0 0 |
| − | 49 19 1 0 0 0 0 | + | 49 19 1 0 0 0 0 |
| − | 27 53 1 0 0 0 0 | + | 27 53 1 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 1 1 0 0 0 | + | 58 59 1 1 0 0 0 |
| − | 60 59 1 1 0 0 0 | + | 60 59 1 1 0 0 0 |
| − | 61 60 1 1 0 0 0 | + | 61 60 1 1 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 57 1 0 0 0 0 | + | 62 57 1 0 0 0 0 |
| − | 60 63 1 0 0 0 0 | + | 60 63 1 0 0 0 0 |
| − | 59 64 1 0 0 0 0 | + | 59 64 1 0 0 0 0 |
| − | 58 65 1 0 0 0 0 | + | 58 65 1 0 0 0 0 |
| − | 57 66 1 0 0 0 0 | + | 57 66 1 0 0 0 0 |
| − | 61 34 1 0 0 0 0 | + | 61 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0026 | + | ID FL5FADGS0026 |
| − | FORMULA C40H52O26 | + | FORMULA C40H52O26 |
| − | EXACTMASS 948.2746818359999 | + | EXACTMASS 948.2746818359999 |
| − | AVERAGEMASS 948.82528 | + | AVERAGEMASS 948.82528 |
| − | SMILES C(C(O2)C(O)C(O)C(OC(O7)C(C(O)C(C7C)O)O)C(OCC(O3)C(C(O)C(C3OC(C4=O)=C(c(c6)cc(c(O)c6)OC)Oc(c5)c4c(O)cc(O)5)O)O)2)OC(C(O)1)OC(CO)C(O)C(O)1 | + | SMILES C(C(O2)C(O)C(O)C(OC(O7)C(C(O)C(C7C)O)O)C(OCC(O3)C(C(O)C(C3OC(C4=O)=C(c(c6)cc(c(O)c6)OC)Oc(c5)c4c(O)cc(O)5)O)O)2)OC(C(O)1)OC(CO)C(O)C(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
66 72 0 0 0 0 0 0 0 0999 V2000
3.2268 2.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5124 2.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5124 3.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2268 3.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9413 3.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9413 2.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7980 2.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0835 2.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3690 2.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3690 1.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0835 1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7979 1.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3454 2.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0835 0.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.5124 1.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.6557 3.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.3884 -2.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.9592 -1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7741 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8631 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3578 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5430 0.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4538 -0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8519 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5678 -1.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9305 -2.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4972 -1.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7106 -0.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.6372 -3.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8509 -3.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1431 -3.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8041 -4.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3 4 2 0 0 0 0
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5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
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10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
22 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 45 1 0 0 0 0
38 31 1 0 0 0 0
46 47 1 1 0 0 0
47 48 1 1 0 0 0
49 48 1 1 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 46 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
46 54 1 0 0 0 0
47 55 1 0 0 0 0
48 56 1 0 0 0 0
49 19 1 0 0 0 0
27 53 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 1 0 0 0
60 59 1 1 0 0 0
61 60 1 1 0 0 0
61 62 1 0 0 0 0
62 57 1 0 0 0 0
60 63 1 0 0 0 0
59 64 1 0 0 0 0
58 65 1 0 0 0 0
57 66 1 0 0 0 0
61 34 1 0 0 0 0
S SKP 5
ID FL5FADGS0026
FORMULA C40H52O26
EXACTMASS 948.2746818359999
AVERAGEMASS 948.82528
SMILES C(C(O2)C(O)C(O)C(OC(O7)C(C(O)C(C7C)O)O)C(OCC(O3)C(C(O)C(C3OC(C4=O)=C(c(c6)cc(c(O)c6)OC)Oc(c5)c4c(O)cc(O)5)O)O)2)OC(C(O)1)OC(CO)C(O)C(O)1
M END
