Mol:FL3FABGS0020
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 64 70 0 0 0 0 0 0 0 0999 V2000 | + | 64 70 0 0 0 0 0 0 0 0999 V2000 |
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| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 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 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 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 |
| − | 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 |
| − | 36 32 1 0 0 0 0 | + | 36 32 1 0 0 0 0 |
| − | 47 43 1 0 0 0 0 | + | 47 43 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 57 1 1 0 0 0 | + | 56 57 1 1 0 0 0 |
| − | 58 57 1 1 0 0 0 | + | 58 57 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 55 1 0 0 0 0 | + | 60 55 1 0 0 0 0 |
| − | 58 61 1 0 0 0 0 | + | 58 61 1 0 0 0 0 |
| − | 57 62 1 0 0 0 0 | + | 57 62 1 0 0 0 0 |
| − | 56 63 1 0 0 0 0 | + | 56 63 1 0 0 0 0 |
| − | 55 64 1 0 0 0 0 | + | 55 64 1 0 0 0 0 |
| − | 59 54 1 0 0 0 0 | + | 59 54 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FABGS0020 | + | ID FL3FABGS0020 |
| − | FORMULA C40H52O24 | + | FORMULA C40H52O24 |
| − | EXACTMASS 916.284852592 | + | EXACTMASS 916.284852592 |
| − | AVERAGEMASS 916.82648 | + | AVERAGEMASS 916.82648 |
| − | SMILES C(C1O)(O)C(O)C(C)OC1OC(C7O)C(OC(C7O)CO)OC(C(O)2)C(OC(C(Oc(c4)cc(O)c(C6=O)c(OC(=C6)c(c5)ccc(c5)OC)4)3)C(O)C(O)C(CO)O3)OC(CO)C(O)2 | + | SMILES C(C1O)(O)C(O)C(C)OC1OC(C7O)C(OC(C7O)CO)OC(C(O)2)C(OC(C(Oc(c4)cc(O)c(C6=O)c(OC(=C6)c(c5)ccc(c5)OC)4)3)C(O)C(O)C(CO)O3)OC(CO)C(O)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
-0.2011 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2011 0.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5134 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2279 0.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2279 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5134 1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9423 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6567 0.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6567 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9423 1.6919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3712 1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0856 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8001 1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8001 2.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0856 2.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3712 2.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9423 -0.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5134 -0.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5463 2.9476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9207 1.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1876 2.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5774 2.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.3665 1.7421 0.0000 C 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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19 21 1 0 0 0 0
22 23 1 1 0 0 0
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36 32 1 0 0 0 0
47 43 1 0 0 0 0
25 20 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 1 0 0 0
58 57 1 1 0 0 0
59 58 1 1 0 0 0
59 60 1 0 0 0 0
60 55 1 0 0 0 0
58 61 1 0 0 0 0
57 62 1 0 0 0 0
56 63 1 0 0 0 0
55 64 1 0 0 0 0
59 54 1 0 0 0 0
S SKP 5
ID FL3FABGS0020
FORMULA C40H52O24
EXACTMASS 916.284852592
AVERAGEMASS 916.82648
SMILES C(C1O)(O)C(O)C(C)OC1OC(C7O)C(OC(C7O)CO)OC(C(O)2)C(OC(C(Oc(c4)cc(O)c(C6=O)c(OC(=C6)c(c5)ccc(c5)OC)4)3)C(O)C(O)C(CO)O3)OC(CO)C(O)2
M END
