Mol:FL5FACGL0077
From Metabolomics.JP
(Difference between revisions)
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| − | 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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| − | -1.2357 -1.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2357 -1.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 22 38 1 0 0 0 0 | + | 22 38 1 0 0 0 0 |
| − | 23 39 1 0 0 0 0 | + | 23 39 1 0 0 0 0 |
| − | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | 40 15 1 0 0 0 0 | + | 40 15 1 0 0 0 0 |
| − | 41 39 1 0 0 0 0 | + | 41 39 1 0 0 0 0 |
| − | 16 42 1 0 0 0 0 | + | 16 42 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 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 43 1 0 0 0 0 | + | 48 43 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 46 52 1 0 0 0 0 | + | 46 52 1 0 0 0 0 |
| − | 47 18 1 0 0 0 0 | + | 47 18 1 0 0 0 0 |
| − | 26 53 1 0 0 0 0 | + | 26 53 1 0 0 0 0 |
| − | 41 54 1 0 0 0 0 | + | 41 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 |
| − | 32 65 1 0 0 0 0 | + | 32 65 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGL0077 | + | ID FL5FACGL0077 |
| − | FORMULA C42H46O23 | + | FORMULA C42H46O23 |
| − | EXACTMASS 918.242987778 | + | EXACTMASS 918.242987778 |
| − | AVERAGEMASS 918.8008399999999 | + | AVERAGEMASS 918.8008399999999 |
| − | SMILES c(c7O)(c2cc(c7)OC(C(O)6)OC(C(O)C(O)6)C)C(C(OC(C5O)OC(C(C5O)O)COC(C(O)4)OC(C(O)C(O)4)COC(C=Cc(c3)ccc(O)c3)=O)=C(O2)c(c1)cc(c(O)c1)O)=O | + | SMILES c(c7O)(c2cc(c7)OC(C(O)6)OC(C(O)C(O)6)C)C(C(OC(C5O)OC(C(C5O)O)COC(C(O)4)OC(C(O)C(O)4)COC(C=Cc(c3)ccc(O)c3)=O)=C(O2)c(c1)cc(c(O)c1)O)=O |
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
-1.7326 1.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3704 0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 1.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3704 1.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3704 -0.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7722 1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4867 1.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2012 1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2012 2.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4867 3.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7722 2.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.8171 0.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.2713 -1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.5379 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.1150 -2.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.6789 -0.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.9468 -4.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2723 -2.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5953 -3.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9502 -2.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2212 -1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
47 18 1 0 0 0 0
26 53 1 0 0 0 0
41 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
32 65 1 0 0 0 0
S SKP 5
ID FL5FACGL0077
FORMULA C42H46O23
EXACTMASS 918.242987778
AVERAGEMASS 918.8008399999999
SMILES c(c7O)(c2cc(c7)OC(C(O)6)OC(C(O)C(O)6)C)C(C(OC(C5O)OC(C(C5O)O)COC(C(O)4)OC(C(O)C(O)4)COC(C=Cc(c3)ccc(O)c3)=O)=C(O2)c(c1)cc(c(O)c1)O)=O
M END
