Mol:FL5FCAGS0014
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 44 52 1 0 0 0 0 | + | 44 52 1 0 0 0 0 |
| − | 45 53 1 0 0 0 0 | + | 45 53 1 0 0 0 0 |
| − | 46 54 1 0 0 0 0 | + | 46 54 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 55 57 1 0 0 0 0 | + | 55 57 1 0 0 0 0 |
| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 2 0 0 0 0 | + | 61 62 2 0 0 0 0 |
| − | 62 63 1 0 0 0 0 | + | 62 63 1 0 0 0 0 |
| − | 63 64 2 0 0 0 0 | + | 63 64 2 0 0 0 0 |
| − | 64 59 1 0 0 0 0 | + | 64 59 1 0 0 0 0 |
| − | 62 65 1 0 0 0 0 | + | 62 65 1 0 0 0 0 |
| − | 51 55 1 0 0 0 0 | + | 51 55 1 0 0 0 0 |
| − | 47 33 1 0 0 0 0 | + | 47 33 1 0 0 0 0 |
| − | 63 66 1 0 0 0 0 | + | 63 66 1 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 61 68 1 0 0 0 0 | + | 61 68 1 0 0 0 0 |
| − | 68 69 1 0 0 0 0 | + | 68 69 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCAGS0014 | + | ID FL5FCAGS0014 |
| − | FORMULA C45H52O24 | + | FORMULA C45H52O24 |
| − | EXACTMASS 976.284852592 | + | EXACTMASS 976.284852592 |
| − | AVERAGEMASS 976.8799799999999 | + | AVERAGEMASS 976.8799799999999 |
| − | SMILES CC(C(O)1)OC(OCC(O2)C(O)C(C(OC(O6)C(C(O)C(C(COC(C=Cc(c7)cc(OC)c(c(OC)7)O)=O)6)O)O)C2OC(=C(c(c5)ccc(O)c5)4)C(=O)c(c3O4)c(O)cc(OC)c3)O)C(C1O)O | + | SMILES CC(C(O)1)OC(OCC(O2)C(O)C(C(OC(O6)C(C(O)C(C(COC(C=Cc(c7)cc(OC)c(c(OC)7)O)=O)6)O)O)C2OC(=C(c(c5)ccc(O)c5)4)C(=O)c(c3O4)c(O)cc(OC)c3)O)C(C1O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
69 75 0 0 0 0 0 0 0 0999 V2000
1.7143 5.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.1433 4.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1433 5.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 6.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9999 4.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.8688 -5.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4724 -5.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1317 -5.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
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
8 9 1 0 0 0 0
9 10 2 0 0 0 0
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
5 20 1 0 0 0 0
16 21 1 0 0 0 0
18 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
34 43 1 0 0 0 0
38 30 1 0 0 0 0
26 19 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
44 52 1 0 0 0 0
45 53 1 0 0 0 0
46 54 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
64 59 1 0 0 0 0
62 65 1 0 0 0 0
51 55 1 0 0 0 0
47 33 1 0 0 0 0
63 66 1 0 0 0 0
66 67 1 0 0 0 0
61 68 1 0 0 0 0
68 69 1 0 0 0 0
S SKP 5
ID FL5FCAGS0014
FORMULA C45H52O24
EXACTMASS 976.284852592
AVERAGEMASS 976.8799799999999
SMILES CC(C(O)1)OC(OCC(O2)C(O)C(C(OC(O6)C(C(O)C(C(COC(C=Cc(c7)cc(OC)c(c(OC)7)O)=O)6)O)O)C2OC(=C(c(c5)ccc(O)c5)4)C(=O)c(c3O4)c(O)cc(OC)c3)O)C(C1O)O
M END
