Mol:FL7AAAGL0074
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 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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| − | -2.3099 2.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3099 2.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4268 1.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4268 1.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0649 1.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0649 1.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8743 0.7600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8743 0.7600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9944 2.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9944 2.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.1810 -2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1810 -2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.5853 -3.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5853 -3.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9978 -3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9978 -3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8228 -3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8228 -3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.8228 -4.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8228 -4.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9978 -4.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9978 -4.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0592 -3.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0592 -3.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3207 -5.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3207 -5.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1019 -5.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1019 -5.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
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| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
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| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 31 27 1 0 0 0 0 | + | 31 27 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 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 |
| − | 46 45 1 1 0 0 0 | + | 46 45 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 |
| − | 44 49 1 0 0 0 0 | + | 44 49 1 0 0 0 0 |
| − | 43 50 1 0 0 0 0 | + | 43 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 |
| − | 42 47 1 0 0 0 0 | + | 42 47 1 0 0 0 0 |
| − | 35 20 1 0 0 0 0 | + | 35 20 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 53 55 1 0 0 0 0 | + | 53 55 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 2 0 0 0 0 | + | 61 62 2 0 0 0 0 |
| − | 62 57 1 0 0 0 0 | + | 62 57 1 0 0 0 0 |
| − | 60 63 1 0 0 0 0 | + | 60 63 1 0 0 0 0 |
| − | 49 53 1 0 0 0 0 | + | 49 53 1 0 0 0 0 |
| − | 61 64 1 0 0 0 0 | + | 61 64 1 0 0 0 0 |
| − | 64 65 1 0 0 0 0 | + | 64 65 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAAGL0074 | + | ID FL7AAAGL0074 |
| − | FORMULA C43H49O22 | + | FORMULA C43H49O22 |
| − | EXACTMASS 917.271548252 | + | EXACTMASS 917.271548252 |
| − | AVERAGEMASS 917.83596 | + | AVERAGEMASS 917.83596 |
| − | SMILES O(C6C)C(C(C(C6OC(=O)C=Cc(c7)ccc(O)c7OC)O)O)OCC(C5O)OC(C(O)C5O)Oc(c4)c([o+1]c(c24)cc(O)cc2OC(O3)C(C(C(O)C(CO)3)O)O)c(c1)ccc(c1)O | + | SMILES O(C6C)C(C(C(C6OC(=O)C=Cc(c7)ccc(O)c7OC)O)O)OCC(C5O)OC(C(O)C5O)Oc(c4)c([o+1]c(c24)cc(O)cc2OC(O3)C(C(C(O)C(CO)3)O)O)c(c1)ccc(c1)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
-0.6015 3.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6015 2.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1128 2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 2.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 3.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1128 3.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5418 2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2562 2.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2562 3.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5418 3.7978 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.0328 3.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7472 3.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4617 3.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4617 4.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7472 5.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0328 4.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1019 5.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.1128 1.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.4178 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.0344 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3345 1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5843 1.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7178 0.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7058 1.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5806 -1.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0774 -0.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2080 0.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9316 -0.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7021 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4570 -2.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1810 -2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0058 -2.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2510 -1.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5269 -1.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.0689 -1.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8007 -2.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1422 -2.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.9978 -3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8228 -3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2353 -3.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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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
4 7 1 0 0 0 0
7 8 2 0 0 0 0
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10 5 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
16 11 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
31 27 1 0 0 0 0
24 19 1 0 0 0 0
32 33 1 1 0 0 0
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37 41 1 0 0 0 0
41 42 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
44 49 1 0 0 0 0
43 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
42 47 1 0 0 0 0
35 20 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 57 1 0 0 0 0
60 63 1 0 0 0 0
49 53 1 0 0 0 0
61 64 1 0 0 0 0
64 65 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAAGL0074
FORMULA C43H49O22
EXACTMASS 917.271548252
AVERAGEMASS 917.83596
SMILES O(C6C)C(C(C(C6OC(=O)C=Cc(c7)ccc(O)c7OC)O)O)OCC(C5O)OC(C(O)C5O)Oc(c4)c([o+1]c(c24)cc(O)cc2OC(O3)C(C(C(O)C(CO)3)O)O)c(c1)ccc(c1)O
M END
