Mol:FL5FADGS0027
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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| − | -2.0320 1.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0320 1.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.5426 -0.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 -0.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4585 2.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4585 2.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0297 3.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0297 3.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.5620 -2.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5620 -2.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3872 -2.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3872 -2.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6111 -1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6111 -1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2086 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2086 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3833 -0.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3833 -0.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1593 -1.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1593 -1.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5770 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5770 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5524 -3.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5524 -3.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1150 -2.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1150 -2.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.3091 -4.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3091 -4.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.7745 -3.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7745 -3.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.1257 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1257 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1072 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1072 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.5497 0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5497 0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9623 0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9623 0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1688 0.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1688 0.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3705 0.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3705 0.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9579 0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9579 0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.3752 -0.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3752 -0.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6642 -0.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6642 -0.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4585 0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4585 0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2429 0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2429 0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 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 |
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| − | 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 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 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 |
| − | 39 38 1 1 0 0 0 | + | 39 38 1 1 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 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
| − | 38 44 1 0 0 0 0 | + | 38 44 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 1 1 0 0 0 | + | 46 47 1 1 0 0 0 |
| − | 48 47 1 1 0 0 0 | + | 48 47 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 45 1 0 0 0 0 | + | 50 45 1 0 0 0 0 |
| − | 48 51 1 0 0 0 0 | + | 48 51 1 0 0 0 0 |
| − | 47 52 1 0 0 0 0 | + | 47 52 1 0 0 0 0 |
| − | 46 53 1 0 0 0 0 | + | 46 53 1 0 0 0 0 |
| − | 45 54 1 0 0 0 0 | + | 45 54 1 0 0 0 0 |
| − | 49 30 1 0 0 0 0 | + | 49 30 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 18 1 0 0 0 0 | + | 59 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0027 | + | ID FL5FADGS0027 |
| − | FORMULA C40H52O24 | + | FORMULA C40H52O24 |
| − | EXACTMASS 916.284852592 | + | EXACTMASS 916.284852592 |
| − | AVERAGEMASS 916.82648 | + | AVERAGEMASS 916.82648 |
| − | SMILES OC(C(O)2)C(OC(OC(=C(c(c7)cc(c(c7)O)OC)4)C(=O)c(c6O)c(cc(c6)OC(C(O)5)OC(C)C(O)C(O)5)O4)C2OC(C3O)OC(C)C(C3O)O)COC(O1)C(O)C(C(O)C(C)1)O | + | SMILES OC(C(O)2)C(OC(OC(=C(c(c7)cc(c(c7)O)OC)4)C(=O)c(c6O)c(cc(c6)OC(C(O)5)OC(C)C(O)C(O)5)O4)C2OC(C3O)OC(C)C(C3O)O)COC(O1)C(O)C(C(O)C(C)1)O |
M END | M END | ||
| − | |||
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
3.0297 1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3152 1.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3152 2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0297 2.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7442 2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7442 1.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6007 1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8863 1.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1719 1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1719 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8863 0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6007 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 1.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2570 1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2570 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8863 -0.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.4197 0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.4585 2.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0297 3.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7539 4.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5620 -2.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3872 -2.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6111 -1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3833 -0.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1593 -1.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5524 -3.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1150 -2.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5825 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0221 -2.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.0788 -2.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.7560 -2.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7745 -3.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3349 -2.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1257 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1072 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5468 -2.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5299 -3.1319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.3181 -3.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.4585 0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2429 0.8858 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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5 6 2 0 0 0 0
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2 7 1 0 0 0 0
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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
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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
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22 23 1 0 0 0 0
24 25 1 1 0 0 0
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27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
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26 30 1 0 0 0 0
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29 33 1 0 0 0 0
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46 53 1 0 0 0 0
45 54 1 0 0 0 0
49 30 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 18 1 0 0 0 0
S SKP 5
ID FL5FADGS0027
FORMULA C40H52O24
EXACTMASS 916.284852592
AVERAGEMASS 916.82648
SMILES OC(C(O)2)C(OC(OC(=C(c(c7)cc(c(c7)O)OC)4)C(=O)c(c6O)c(cc(c6)OC(C(O)5)OC(C)C(O)C(O)5)O4)C2OC(C3O)OC(C)C(C3O)O)COC(O1)C(O)C(C(O)C(C)1)O
M END
