Mol:FL7AAIGL0038
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 39 38 1 1 0 0 0 | + | 39 38 1 1 0 0 0 |
| − | 40 39 1 1 0 0 0 | + | 40 39 1 1 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 38 43 1 0 0 0 0 | + | 38 43 1 0 0 0 0 |
| − | 39 44 1 0 0 0 0 | + | 39 44 1 0 0 0 0 |
| − | 26 24 1 0 0 0 0 | + | 26 24 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 2 0 0 0 0 | + | 46 47 2 0 0 0 0 |
| − | 46 48 1 0 0 0 0 | + | 46 48 1 0 0 0 0 |
| − | 48 49 2 0 0 0 0 | + | 48 49 2 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 51 2 0 0 0 0 | + | 50 51 2 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 52 53 2 0 0 0 0 | + | 52 53 2 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 |
| − | 55 50 1 0 0 0 0 | + | 55 50 1 0 0 0 0 |
| − | 53 56 1 0 0 0 0 | + | 53 56 1 0 0 0 0 |
| − | 45 37 1 0 0 0 0 | + | 45 37 1 0 0 0 0 |
| − | 52 57 1 0 0 0 0 | + | 52 57 1 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 59 60 1 1 0 0 0 | + | 59 60 1 1 0 0 0 |
| − | 60 61 1 1 0 0 0 | + | 60 61 1 1 0 0 0 |
| − | 62 61 1 1 0 0 0 | + | 62 61 1 1 0 0 0 |
| − | 62 63 1 0 0 0 0 | + | 62 63 1 0 0 0 0 |
| − | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
| − | 64 59 1 0 0 0 0 | + | 64 59 1 0 0 0 0 |
| − | 64 65 1 0 0 0 0 | + | 64 65 1 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 59 67 1 0 0 0 0 | + | 59 67 1 0 0 0 0 |
| − | 60 68 1 0 0 0 0 | + | 60 68 1 0 0 0 0 |
| − | 61 69 1 0 0 0 0 | + | 61 69 1 0 0 0 0 |
| − | 62 19 1 0 0 0 0 | + | 62 19 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAIGL0038 | + | ID FL7AAIGL0038 |
| − | FORMULA C45H53O24 | + | FORMULA C45H53O24 |
| − | EXACTMASS 977.292677624 | + | EXACTMASS 977.292677624 |
| − | AVERAGEMASS 977.88792 | + | AVERAGEMASS 977.88792 |
| − | SMILES c(c6)(O)cc(OC(O7)C(O)C(O)C(C7CO)O)c(c56)cc(c([o+1]5)c(c4)cc(OC)c(O)c4OC)OC(C1O)OC(COC(O3)C(C(O)C(C3C)OC(=O)C=Cc(c2)ccc(c(OC)2)O)O)C(C1O)O | + | SMILES c(c6)(O)cc(OC(O7)C(O)C(O)C(C7CO)O)c(c56)cc(c([o+1]5)c(c4)cc(OC)c(O)c4OC)OC(C1O)OC(COC(O3)C(C(O)C(C3C)OC(=O)C=Cc(c2)ccc(c(OC)2)O)O)C(C1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
69 75 0 0 0 0 0 0 0 0999 V2000
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3.0177 3.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3033 3.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5888 3.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.3480 -0.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3650 -0.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
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11 12 2 0 0 0 0
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13 14 2 0 0 0 0
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14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
13 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
20 23 1 0 0 0 0
8 24 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
25 31 1 0 0 0 0
30 32 1 0 0 0 0
29 33 1 0 0 0 0
28 34 1 0 0 0 0
34 35 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
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40 39 1 1 0 0 0
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41 36 1 0 0 0 0
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26 24 1 0 0 0 0
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46 47 2 0 0 0 0
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48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
55 50 1 0 0 0 0
53 56 1 0 0 0 0
45 37 1 0 0 0 0
52 57 1 0 0 0 0
57 58 1 0 0 0 0
59 60 1 1 0 0 0
60 61 1 1 0 0 0
62 61 1 1 0 0 0
62 63 1 0 0 0 0
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64 59 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
59 67 1 0 0 0 0
60 68 1 0 0 0 0
61 69 1 0 0 0 0
62 19 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAIGL0038
FORMULA C45H53O24
EXACTMASS 977.292677624
AVERAGEMASS 977.88792
SMILES c(c6)(O)cc(OC(O7)C(O)C(O)C(C7CO)O)c(c56)cc(c([o+1]5)c(c4)cc(OC)c(O)c4OC)OC(C1O)OC(COC(O3)C(C(O)C(C3C)OC(=O)C=Cc(c2)ccc(c(OC)2)O)O)C(C1O)O
M END
