Mol:FL7AAIGL0034
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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| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 39 38 1 1 0 0 0 | + | 39 38 1 1 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 38 41 1 0 0 0 0 | + | 38 41 1 0 0 0 0 |
| − | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 23 45 1 0 0 0 0 | + | 23 45 1 0 0 0 0 |
| − | 44 46 1 0 0 0 0 | + | 44 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 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 57 1 0 0 0 0 | + | 62 57 1 0 0 0 0 |
| − | 19 60 1 0 0 0 0 | + | 19 60 1 0 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 |
| − | 57 65 1 0 0 0 0 | + | 57 65 1 0 0 0 0 |
| − | 58 66 1 0 0 0 0 | + | 58 66 1 0 0 0 0 |
| − | 59 67 1 0 0 0 0 | + | 59 67 1 0 0 0 0 |
| − | 60 59 1 1 0 0 0 | + | 60 59 1 1 0 0 0 |
| − | 58 59 1 1 0 0 0 | + | 58 59 1 1 0 0 0 |
| − | 57 58 1 1 0 0 0 | + | 57 58 1 1 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAIGL0034 | + | ID FL7AAIGL0034 |
| − | FORMULA C44H51O23 | + | FORMULA C44H51O23 |
| − | EXACTMASS 947.282112938 | + | EXACTMASS 947.282112938 |
| − | AVERAGEMASS 947.86194 | + | AVERAGEMASS 947.86194 |
| − | SMILES OC(C(OC(=O)C=Cc(c7)ccc(O)c7)6)C(C(OC6C)OCC(C(O)5)OC(C(C5O)O)Oc(c2c(c4)cc(OC)c(O)c4OC)cc(c(OC(O3)C(O)C(O)C(C3CO)O)1)c([o+1]2)cc(O)c1)O | + | SMILES OC(C(OC(=O)C=Cc(c7)ccc(O)c7)6)C(C(OC6C)OCC(C(O)5)OC(C(C5O)O)Oc(c2c(c4)cc(OC)c(O)c4OC)cc(c(OC(O3)C(O)C(O)C(C3CO)O)1)c([o+1]2)cc(O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
67 73 0 0 0 0 0 0 0 0999 V2000
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0.1955 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1955 2.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5071 2.4300 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.9389 2.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6036 2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2681 2.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2681 3.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6036 3.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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14 17 1 0 0 0 0
5 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
13 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
20 25 1 0 0 0 0
24 30 1 0 0 0 0
29 31 1 0 0 0 0
28 32 1 0 0 0 0
27 33 1 0 0 0 0
33 34 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
34 39 1 0 0 0 0
38 41 1 0 0 0 0
37 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
23 45 1 0 0 0 0
44 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
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
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 57 1 0 0 0 0
19 60 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
57 65 1 0 0 0 0
58 66 1 0 0 0 0
59 67 1 0 0 0 0
60 59 1 1 0 0 0
58 59 1 1 0 0 0
57 58 1 1 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAIGL0034
FORMULA C44H51O23
EXACTMASS 947.282112938
AVERAGEMASS 947.86194
SMILES OC(C(OC(=O)C=Cc(c7)ccc(O)c7)6)C(C(OC6C)OCC(C(O)5)OC(C(C5O)O)Oc(c2c(c4)cc(OC)c(O)c4OC)cc(c(OC(O3)C(O)C(O)C(C3CO)O)1)c([o+1]2)cc(O)c1)O
M END
