Mol:FL7AACGL0087
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 69 75 0 0 0 0 0 0 0 0999 V2000 | + | 69 75 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
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| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
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| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 40 41 1 1 0 0 0 | + | 40 41 1 1 0 0 0 |
| − | 24 35 1 0 0 0 0 | + | 24 35 1 0 0 0 0 |
| − | 30 42 2 0 0 0 0 | + | 30 42 2 0 0 0 0 |
| − | 30 43 1 0 0 0 0 | + | 30 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 45 50 1 0 0 0 0 | + | 45 50 1 0 0 0 0 |
| − | 48 51 1 0 0 0 0 | + | 48 51 1 0 0 0 0 |
| − | 3 52 1 0 0 0 0 | + | 3 52 1 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 55 61 1 1 0 0 0 | + | 55 61 1 1 0 0 0 |
| − | 56 62 1 1 0 0 0 | + | 56 62 1 1 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 54 57 1 0 0 0 0 | + | 54 57 1 0 0 0 0 |
| − | 53 56 1 0 0 0 0 | + | 53 56 1 0 0 0 0 |
| − | 58 62 1 0 0 0 0 | + | 58 62 1 0 0 0 0 |
| − | 59 61 1 0 0 0 0 | + | 59 61 1 0 0 0 0 |
| − | 57 60 1 0 0 0 0 | + | 57 60 1 0 0 0 0 |
| − | 61 62 1 1 0 0 0 | + | 61 62 1 1 0 0 0 |
| − | 60 63 1 0 0 0 0 | + | 60 63 1 0 0 0 0 |
| − | 52 55 1 0 0 0 0 | + | 52 55 1 0 0 0 0 |
| − | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
| − | 64 65 2 0 0 0 0 | + | 64 65 2 0 0 0 0 |
| − | 64 66 1 0 0 0 0 | + | 64 66 1 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 67 68 1 0 0 0 0 | + | 67 68 1 0 0 0 0 |
| − | 67 69 2 0 0 0 0 | + | 67 69 2 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0087 | + | ID FL7AACGL0087 |
| − | FORMULA C44H47O25 | + | FORMULA C44H47O25 |
| − | EXACTMASS 975.2406420539999 | + | EXACTMASS 975.2406420539999 |
| − | AVERAGEMASS 975.8289800000001 | + | AVERAGEMASS 975.8289800000001 |
| − | SMILES C(C2OC(O7)C(C(O)C(O)C7)O)(O)C(C(OC2Oc(c(c(c6)cc(c(O)c6)O)3)cc(c4OC(O5)C(C(O)C(O)C5COC(CC(O)=O)=O)O)c(cc(c4)O)[o+1]3)COC(C=Cc(c1)ccc(O)c1)=O)O | + | SMILES C(C2OC(O7)C(C(O)C(O)C7)O)(O)C(C(OC2Oc(c(c(c6)cc(c(O)c6)O)3)cc(c4OC(O5)C(C(O)C(O)C5COC(CC(O)=O)=O)O)c(cc(c4)O)[o+1]3)COC(C=Cc(c1)ccc(O)c1)=O)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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2.0783 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7919 3.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7919 4.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.7016 3.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1140 4.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7016 4.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9389 4.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
1 6 1 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
5 10 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
11 16 1 0 0 0 0
1 17 1 0 0 0 0
8 18 1 0 0 0 0
19 20 1 0 0 0 0
20 26 1 1 0 0 0
21 27 1 1 0 0 0
21 22 1 0 0 0 0
19 22 1 0 0 0 0
23 27 1 0 0 0 0
24 26 1 0 0 0 0
22 25 1 0 0 0 0
26 27 1 1 0 0 0
25 28 1 0 0 0 0
18 20 1 0 0 0 0
21 29 1 0 0 0 0
28 30 1 0 0 0 0
15 31 1 0 0 0 0
14 32 1 0 0 0 0
33 34 1 0 0 0 0
34 40 1 1 0 0 0
35 41 1 1 0 0 0
35 36 1 0 0 0 0
33 36 1 0 0 0 0
37 41 1 0 0 0 0
38 40 1 0 0 0 0
34 39 1 0 0 0 0
40 41 1 1 0 0 0
24 35 1 0 0 0 0
30 42 2 0 0 0 0
30 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
45 50 1 0 0 0 0
48 51 1 0 0 0 0
3 52 1 0 0 0 0
54 55 1 0 0 0 0
55 61 1 1 0 0 0
56 62 1 1 0 0 0
56 57 1 0 0 0 0
54 57 1 0 0 0 0
53 56 1 0 0 0 0
58 62 1 0 0 0 0
59 61 1 0 0 0 0
57 60 1 0 0 0 0
61 62 1 1 0 0 0
60 63 1 0 0 0 0
52 55 1 0 0 0 0
63 64 1 0 0 0 0
64 65 2 0 0 0 0
64 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
67 69 2 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0087
FORMULA C44H47O25
EXACTMASS 975.2406420539999
AVERAGEMASS 975.8289800000001
SMILES C(C2OC(O7)C(C(O)C(O)C7)O)(O)C(C(OC2Oc(c(c(c6)cc(c(O)c6)O)3)cc(c4OC(O5)C(C(O)C(O)C5COC(CC(O)=O)=O)O)c(cc(c4)O)[o+1]3)COC(C=Cc(c1)ccc(O)c1)=O)O
M END
