Mol:FL7AAGGA0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 67 73 0 0 0 0 0 0 0 0999 V2000 | + | 67 73 0 0 0 0 0 0 0 0999 V2000 |
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| − | 6.1034 -2.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1034 -2.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.0428 -3.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0428 -3.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.2877 -1.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2877 -1.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9914 -1.3673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9914 -1.3673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5989 -1.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5989 -1.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0966 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0966 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3929 -1.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3929 -1.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0232 -0.7812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0232 -0.7812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.5765 -1.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5765 -1.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8414 0.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8414 0.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.0620 0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0620 0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0696 1.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0696 1.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.0862 3.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0862 3.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8039 2.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8039 2.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7957 1.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7957 1.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0862 3.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0862 3.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -5.4372 3.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4372 3.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1034 4.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1034 4.1821 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 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 25 38 1 0 0 0 0 | + | 25 38 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
| − | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
| − | 15 42 1 0 0 0 0 | + | 15 42 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 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 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 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 |
| − | 48 52 1 0 0 0 0 | + | 48 52 1 0 0 0 0 |
| − | 46 19 1 0 0 0 0 | + | 46 19 1 0 0 0 0 |
| − | 13 53 1 0 0 0 0 | + | 13 53 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 |
| − | 52 65 1 0 0 0 0 | + | 52 65 1 0 0 0 0 |
| − | 65 54 1 0 0 0 0 | + | 65 54 1 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 62 66 1 0 0 0 0 | + | 62 66 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 66 67 | + | M SAL 1 2 66 67 |
| − | M SBL 1 1 73 | + | M SBL 1 1 73 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 73 0.6333 -0.3656 | + | M SBV 1 73 0.6333 -0.3656 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGA0009 | + | ID FL7AAGGA0009 |
| − | FORMULA C43H49O24 | + | FORMULA C43H49O24 |
| − | EXACTMASS 949.261377496 | + | EXACTMASS 949.261377496 |
| − | AVERAGEMASS 949.83476 | + | AVERAGEMASS 949.83476 |
| − | SMILES OC(C2O)C(OC(Oc(c6c(c7)cc(c(c7O)O)O)cc(c([o+1]6)3)c(OC(C5O)OC(C(C5O)O)COC(C=Cc(c4)ccc(c4OC)O)=O)cc(O)c3)C2O)COC(O1)C(C(C(O)C1C)O)O | + | SMILES OC(C2O)C(OC(Oc(c6c(c7)cc(c(c7O)O)O)cc(c([o+1]6)3)c(OC(C5O)OC(C(C5O)O)COC(C=Cc(c4)ccc(c4OC)O)=O)cc(O)c3)C2O)COC(O1)C(C(C(O)C1C)O)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
-1.0383 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4211 -0.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4211 0.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3087 0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1509 -0.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8807 -0.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8807 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1509 0.6903 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.6103 0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3541 0.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0977 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0977 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3540 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6102 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.1586 -3.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8627 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1034 -2.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4706 -3.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0428 -3.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7853 -0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2877 -1.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.3929 -1.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.9043 -4.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-5.4372 3.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1034 4.1821 0.0000 C 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
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
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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
15 42 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
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
48 52 1 0 0 0 0
46 19 1 0 0 0 0
13 53 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
52 65 1 0 0 0 0
65 54 1 0 0 0 0
66 67 1 0 0 0 0
62 66 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 66 67
M SBL 1 1 73
M SMT 1 ^ OCH3
M SBV 1 73 0.6333 -0.3656
S SKP 5
ID FL7AAGGA0009
FORMULA C43H49O24
EXACTMASS 949.261377496
AVERAGEMASS 949.83476
SMILES OC(C2O)C(OC(Oc(c6c(c7)cc(c(c7O)O)O)cc(c([o+1]6)3)c(OC(C5O)OC(C(C5O)O)COC(C=Cc(c4)ccc(c4OC)O)=O)cc(O)c3)C2O)COC(O1)C(C(C(O)C1C)O)O
M END
