Mol:FL5FACGS0113
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 62 68 0 0 0 0 0 0 0 0999 V2000 | + | 62 68 0 0 0 0 0 0 0 0999 V2000 |
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| − | 42 49 1 0 0 0 0 | + | 42 49 1 0 0 0 0 |
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| − | 54 55 1 1 0 0 0 | + | 54 55 1 1 0 0 0 |
| − | 56 55 1 1 0 0 0 | + | 56 55 1 1 0 0 0 |
| − | 57 56 1 1 0 0 0 | + | 57 56 1 1 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
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| − | 56 62 1 0 0 0 0 | + | 56 62 1 0 0 0 0 |
| − | 52 57 1 0 0 0 0 | + | 52 57 1 0 0 0 0 |
| − | 45 19 1 0 0 0 0 | + | 45 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0113 | + | ID FL5FACGS0113 |
| − | FORMULA C40H44O22 | + | FORMULA C40H44O22 |
| − | EXACTMASS 876.232423092 | + | EXACTMASS 876.232423092 |
| − | AVERAGEMASS 876.7641600000001 | + | AVERAGEMASS 876.7641600000001 |
| − | SMILES c(c7)ccc(c7)C(=O)OCC(C6O)OC(C(C6O)O)Oc(c1)cc(c(C(=O)3)c1OC(=C3OC(C(O)4)OC(COC(C(O)5)OC(C(O)C(O)5)C)C(O)C4O)c(c2)cc(c(c2)O)O)O | + | SMILES c(c7)ccc(c7)C(=O)OCC(C6O)OC(C(C6O)O)Oc(c1)cc(c(C(=O)3)c1OC(=C3OC(C(O)4)OC(COC(C(O)5)OC(C(O)C(O)5)C)C(O)C4O)c(c2)cc(c(c2)O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
62 68 0 0 0 0 0 0 0 0999 V2000
4.6867 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9722 1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9722 2.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6867 2.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4011 2.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4011 1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2578 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5433 1.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8288 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8288 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5433 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2578 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1144 1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3999 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3999 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1144 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5433 -1.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1894 1.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8567 -0.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1144 -1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9930 2.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6867 3.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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27 28 2 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
31 38 1 0 0 0 0
35 18 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
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47 42 1 0 0 0 0
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45 19 1 0 0 0 0
S SKP 5
ID FL5FACGS0113
FORMULA C40H44O22
EXACTMASS 876.232423092
AVERAGEMASS 876.7641600000001
SMILES c(c7)ccc(c7)C(=O)OCC(C6O)OC(C(C6O)O)Oc(c1)cc(c(C(=O)3)c1OC(=C3OC(C(O)4)OC(COC(C(O)5)OC(C(O)C(O)5)C)C(O)C4O)c(c2)cc(c(c2)O)O)O
M END
