Mol:FL5FACGS0114
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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| − | -3.6006 -2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6006 -2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.7756 -3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7756 -3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8370 -2.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8370 -2.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
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| − | 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 |
| − | 47 43 1 0 0 0 0 | + | 47 43 1 0 0 0 0 |
| − | 36 19 1 0 0 0 0 | + | 36 19 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 |
| − | 40 55 1 0 0 0 0 | + | 40 55 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0114 | + | ID FL5FACGS0114 |
| − | FORMULA C42H46O23 | + | FORMULA C42H46O23 |
| − | EXACTMASS 918.242987778 | + | EXACTMASS 918.242987778 |
| − | AVERAGEMASS 918.8008399999999 | + | AVERAGEMASS 918.8008399999999 |
| − | SMILES C(C(O)1)(O)C(O)C(C)OC1Oc(c7)cc(c2c7O)OC(c(c6)ccc(c6O)O)=C(OC(C(OC(O5)C(O)C(O)C(C(CO)5)O)3)OC(COC(=O)C=Cc(c4)ccc(c4)O)C(O)C(O)3)C(=O)2 | + | SMILES C(C(O)1)(O)C(O)C(C)OC1Oc(c7)cc(c2c7O)OC(c(c6)ccc(c6O)O)=C(OC(C(OC(O5)C(O)C(O)C(C(CO)5)O)3)OC(COC(=O)C=Cc(c4)ccc(c4)O)C(O)C(O)3)C(=O)2 |
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
3.5306 1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8162 2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8162 3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5306 3.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2451 3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2451 2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1018 1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 2.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6728 1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6728 0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1018 0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0416 2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3873 -0.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.7007 0.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 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
47 43 1 0 0 0 0
36 19 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
40 55 1 0 0 0 0
S SKP 5
ID FL5FACGS0114
FORMULA C42H46O23
EXACTMASS 918.242987778
AVERAGEMASS 918.8008399999999
SMILES C(C(O)1)(O)C(O)C(C)OC1Oc(c7)cc(c2c7O)OC(c(c6)ccc(c6O)O)=C(OC(C(OC(O5)C(O)C(O)C(C(CO)5)O)3)OC(COC(=O)C=Cc(c4)ccc(c4)O)C(O)C(O)3)C(=O)2
M END
