Mol:FL5FAGGA0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 65 71 0 0 0 0 0 0 0 0999 V2000 | + | 65 71 0 0 0 0 0 0 0 0999 V2000 |
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| − | 4.8103 2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8103 2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5403 2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5403 2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
| − | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | 42 15 1 0 0 0 0 | + | 42 15 1 0 0 0 0 |
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| − | 45 44 1 1 0 0 0 | + | 45 44 1 1 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 1 0 0 0 | + | 48 49 1 1 0 0 0 |
| − | 49 44 1 1 0 0 0 | + | 49 44 1 1 0 0 0 |
| − | 48 50 1 0 0 0 0 | + | 48 50 1 0 0 0 0 |
| − | 47 51 1 0 0 0 0 | + | 47 51 1 0 0 0 0 |
| − | 49 52 1 0 0 0 0 | + | 49 52 1 0 0 0 0 |
| − | 44 53 1 0 0 0 0 | + | 44 53 1 0 0 0 0 |
| − | 45 18 1 0 0 0 0 | + | 45 18 1 0 0 0 0 |
| − | 36 54 1 0 0 0 0 | + | 36 54 1 0 0 0 0 |
| − | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
| − | 54 56 1 0 0 0 0 | + | 54 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 63 2 0 0 0 0 | + | 62 63 2 0 0 0 0 |
| − | 63 58 1 0 0 0 0 | + | 63 58 1 0 0 0 0 |
| − | 61 64 1 0 0 0 0 | + | 61 64 1 0 0 0 0 |
| − | 14 65 1 0 0 0 0 | + | 14 65 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGA0008 | + | ID FL5FAGGA0008 |
| − | FORMULA C42H46O23 | + | FORMULA C42H46O23 |
| − | EXACTMASS 918.242987778 | + | EXACTMASS 918.242987778 |
| − | AVERAGEMASS 918.8008399999999 | + | AVERAGEMASS 918.8008399999999 |
| − | SMILES c(c7)c(ccc7O)C=CC(=O)OC(C(COC(C(O)6)OC(C)C(O)C(O)6)1)C(O)C(O)C(OC(=C(c(c5)cc(O)c(O)c(O)5)2)C(=O)c(c3O)c(cc(OC(C(O)4)OC(C(O)C(O)4)C)c3)O2)O1 | + | SMILES c(c7)c(ccc7O)C=CC(=O)OC(C(COC(C(O)6)OC(C)C(O)C(O)6)1)C(O)C(O)C(OC(=C(c(c5)cc(O)c(O)c(O)5)2)C(=O)c(c3O)c(cc(OC(C(O)4)OC(C(O)C(O)4)C)c3)O2)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
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0.1573 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1573 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5437 0.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.8581 0.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5726 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2871 0.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2871 1.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5726 1.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8581 1.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.7695 -3.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.0689 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.8103 2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5403 2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5403 3.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8103 3.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0803 3.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0803 2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8103 4.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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42 15 1 0 0 0 0
16 43 1 0 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 1 0 0 0
49 44 1 1 0 0 0
48 50 1 0 0 0 0
47 51 1 0 0 0 0
49 52 1 0 0 0 0
44 53 1 0 0 0 0
45 18 1 0 0 0 0
36 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
63 58 1 0 0 0 0
61 64 1 0 0 0 0
14 65 1 0 0 0 0
S SKP 5
ID FL5FAGGA0008
FORMULA C42H46O23
EXACTMASS 918.242987778
AVERAGEMASS 918.8008399999999
SMILES c(c7)c(ccc7O)C=CC(=O)OC(C(COC(C(O)6)OC(C)C(O)C(O)6)1)C(O)C(O)C(OC(=C(c(c5)cc(O)c(O)c(O)5)2)C(=O)c(c3O)c(cc(OC(C(O)4)OC(C(O)C(O)4)C)c3)O2)O1
M END
