Mol:FL3FAAGS0073
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 67 73 0 0 0 0 0 0 0 0999 V2000 | + | 67 73 0 0 0 0 0 0 0 0999 V2000 |
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| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 39 43 2 0 0 0 0 | + | 39 43 2 0 0 0 0 |
| − | 39 44 1 0 0 0 0 | + | 39 44 1 0 0 0 0 |
| − | 36 30 1 0 0 0 0 | + | 36 30 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 45 47 1 0 0 0 0 | + | 45 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 54 49 1 0 0 0 0 | + | 54 49 1 0 0 0 0 |
| − | 52 55 1 0 0 0 0 | + | 52 55 1 0 0 0 0 |
| − | 42 45 1 0 0 0 0 | + | 42 45 1 0 0 0 0 |
| − | 56 57 1 1 0 0 0 | + | 56 57 1 1 0 0 0 |
| − | 57 58 1 1 0 0 0 | + | 57 58 1 1 0 0 0 |
| − | 59 58 1 1 0 0 0 | + | 59 58 1 1 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 56 1 0 0 0 0 | + | 61 56 1 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 56 63 1 0 0 0 0 | + | 56 63 1 0 0 0 0 |
| − | 57 64 1 0 0 0 0 | + | 57 64 1 0 0 0 0 |
| − | 58 65 1 0 0 0 0 | + | 58 65 1 0 0 0 0 |
| − | 62 66 2 0 0 0 0 | + | 62 66 2 0 0 0 0 |
| − | 62 67 1 0 0 0 0 | + | 62 67 1 0 0 0 0 |
| − | 59 20 1 0 0 0 0 | + | 59 20 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGS0073 | + | ID FL3FAAGS0073 |
| − | FORMULA C42H40O25 | + | FORMULA C42H40O25 |
| − | EXACTMASS 944.1858668299999 | + | EXACTMASS 944.1858668299999 |
| − | AVERAGEMASS 944.752 | + | AVERAGEMASS 944.752 |
| − | SMILES OC(=O)C(C1O)OC(OC(C7O)C(OC(C7O)C(O)=O)Oc(c3)ccc(C(O6)=CC(c(c56)c(cc(c5)OC(C(O)4)OC(C(O)C4O)C(O)=O)O)=O)c3)C(OC(=O)C=Cc(c2)ccc(c2)O)C1O | + | SMILES OC(=O)C(C1O)OC(OC(C7O)C(OC(C7O)C(O)=O)Oc(c3)ccc(C(O6)=CC(c(c56)c(cc(c5)OC(C(O)4)OC(C(O)C4O)C(O)=O)O)=O)c3)C(OC(=O)C=Cc(c2)ccc(c2)O)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
67 73 0 0 0 0 0 0 0 0999 V2000
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25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
27 31 2 0 0 0 0
27 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
35 42 1 0 0 0 0
39 43 2 0 0 0 0
39 44 1 0 0 0 0
36 30 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
54 49 1 0 0 0 0
52 55 1 0 0 0 0
42 45 1 0 0 0 0
56 57 1 1 0 0 0
57 58 1 1 0 0 0
59 58 1 1 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 56 1 0 0 0 0
61 62 1 0 0 0 0
56 63 1 0 0 0 0
57 64 1 0 0 0 0
58 65 1 0 0 0 0
62 66 2 0 0 0 0
62 67 1 0 0 0 0
59 20 1 0 0 0 0
24 19 1 0 0 0 0
S SKP 5
ID FL3FAAGS0073
FORMULA C42H40O25
EXACTMASS 944.1858668299999
AVERAGEMASS 944.752
SMILES OC(=O)C(C1O)OC(OC(C7O)C(OC(C7O)C(O)=O)Oc(c3)ccc(C(O6)=CC(c(c56)c(cc(c5)OC(C(O)4)OC(C(O)C4O)C(O)=O)O)=O)c3)C(OC(=O)C=Cc(c2)ccc(c2)O)C1O
M END
