Mol:FL5FACGS0118
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 66 72 0 0 0 0 0 0 0 0999 V2000 | + | 66 72 0 0 0 0 0 0 0 0999 V2000 |
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| − | -3.7656 -3.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7656 -3.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.8335 -2.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8335 -2.4711 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 | + | 3 4 2 0 0 0 0 |
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| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
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| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 19 38 1 0 0 0 0 | + | 19 38 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 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 43 1 0 0 0 0 | + | 48 43 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 43 50 1 0 0 0 0 | + | 43 50 1 0 0 0 0 |
| − | 44 51 1 0 0 0 0 | + | 44 51 1 0 0 0 0 |
| − | 45 52 1 0 0 0 0 | + | 45 52 1 0 0 0 0 |
| − | 46 40 1 0 0 0 0 | + | 46 40 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 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 |
| − | 60 65 1 0 0 0 0 | + | 60 65 1 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 53 49 1 0 0 0 0 | + | 53 49 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0118 | + | ID FL5FACGS0118 |
| − | FORMULA C42H46O24 | + | FORMULA C42H46O24 |
| − | EXACTMASS 934.2379024 | + | EXACTMASS 934.2379024 |
| − | AVERAGEMASS 934.8002399999999 | + | AVERAGEMASS 934.8002399999999 |
| − | SMILES c(c1)(O)c(O)ccc1C(O2)=C(OC(C(OC(C(O)7)OC(C(O)C7O)COC(=O)C=Cc(c6)cc(OC)c(c6)O)5)OCC(O)C(O)5)C(=O)c(c4O)c2cc(c4)OC(C(O)3)OC(CO)C(O)C3O | + | SMILES c(c1)(O)c(O)ccc1C(O2)=C(OC(C(OC(C(O)7)OC(C(O)C7O)COC(=O)C=Cc(c6)cc(OC)c(c6)O)5)OCC(O)C(O)5)C(=O)c(c4O)c2cc(c4)OC(C(O)3)OC(CO)C(O)C3O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
66 72 0 0 0 0 0 0 0 0999 V2000
3.5353 2.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8208 2.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8208 3.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5353 3.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2498 3.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2498 2.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1065 2.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3920 2.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6775 2.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6775 1.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3920 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1065 1.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0370 2.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3920 0.2041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.0472 -0.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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25 33 1 0 0 0 0
26 18 1 0 0 0 0
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
39 34 1 0 0 0 0
37 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
19 38 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
48 49 1 0 0 0 0
43 50 1 0 0 0 0
44 51 1 0 0 0 0
45 52 1 0 0 0 0
46 40 1 0 0 0 0
53 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
60 65 1 0 0 0 0
65 66 1 0 0 0 0
53 49 1 0 0 0 0
S SKP 5
ID FL5FACGS0118
FORMULA C42H46O24
EXACTMASS 934.2379024
AVERAGEMASS 934.8002399999999
SMILES c(c1)(O)c(O)ccc1C(O2)=C(OC(C(OC(C(O)7)OC(C(O)C7O)COC(=O)C=Cc(c6)cc(OC)c(c6)O)5)OCC(O)C(O)5)C(=O)c(c4O)c2cc(c4)OC(C(O)3)OC(CO)C(O)C3O
M END
