Mol:FL5FACGS0089
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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| − | 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 |
| − | 48 47 1 1 0 0 0 | + | 48 47 1 1 0 0 0 |
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| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
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| − | 46 51 1 0 0 0 0 | + | 46 51 1 0 0 0 0 |
| − | 45 52 1 0 0 0 0 | + | 45 52 1 0 0 0 0 |
| − | 44 53 1 0 0 0 0 | + | 44 53 1 0 0 0 0 |
| − | 48 40 1 0 0 0 0 | + | 48 40 1 0 0 0 0 |
| − | 54 55 1 1 0 0 0 | + | 54 55 1 1 0 0 0 |
| − | 55 56 1 1 0 0 0 | + | 55 56 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 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 54 1 0 0 0 0 | + | 59 54 1 0 0 0 0 |
| − | 56 60 1 0 0 0 0 | + | 56 60 1 0 0 0 0 |
| − | 55 61 1 0 0 0 0 | + | 55 61 1 0 0 0 0 |
| − | 54 62 1 0 0 0 0 | + | 54 62 1 0 0 0 0 |
| − | 57 50 1 0 0 0 0 | + | 57 50 1 0 0 0 0 |
| − | 38 30 1 0 0 0 0 | + | 38 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0089 | + | ID FL5FACGS0089 |
| − | FORMULA C38H48O24 | + | FORMULA C38H48O24 |
| − | EXACTMASS 888.253552464 | + | EXACTMASS 888.253552464 |
| − | AVERAGEMASS 888.77332 | + | AVERAGEMASS 888.77332 |
| − | SMILES OC(C6O)C(OC(C7O)OCC(O)C(O)7)C(OC6C)OC(C1OCC(C(O)5)OC(C(O)C5O)Oc(c4)cc(c2c4O)OC(c(c3)ccc(O)c3O)=C(O)C2=O)C(O)C(O)C(C)O1 | + | SMILES OC(C6O)C(OC(C7O)OCC(O)C(O)7)C(OC6C)OC(C1OCC(C(O)5)OC(C(O)C5O)Oc(c4)cc(c2c4O)OC(c(c3)ccc(O)c3O)=C(O)C2=O)C(O)C(O)C(C)O1 |
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
3.2261 4.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2261 4.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9405 3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6550 4.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6550 4.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9405 5.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5117 3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7972 4.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0828 3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0828 2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7972 2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5117 2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3683 4.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3462 3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3462 2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3683 2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7972 1.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0606 4.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2261 2.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3683 1.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2469 5.2823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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26 25 1 1 0 0 0
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27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
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24 32 1 0 0 0 0
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34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
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26 18 1 0 0 0 0
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38 30 1 0 0 0 0
S SKP 5
ID FL5FACGS0089
FORMULA C38H48O24
EXACTMASS 888.253552464
AVERAGEMASS 888.77332
SMILES OC(C6O)C(OC(C7O)OCC(O)C(O)7)C(OC6C)OC(C1OCC(C(O)5)OC(C(O)C5O)Oc(c4)cc(c2c4O)OC(c(c3)ccc(O)c3O)=C(O)C2=O)C(O)C(O)C(C)O1
M END
