Mol:FL5FAAGS0097
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 61 67 0 0 0 0 0 0 0 0999 V2000 | + | 61 67 0 0 0 0 0 0 0 0999 V2000 |
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| − | -2.9370 -3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9370 -3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3754 -3.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3754 -3.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5842 -3.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5842 -3.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3155 -2.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3155 -2.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8772 -3.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8772 -3.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.7738 -2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7738 -2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2804 -1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2804 -1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0482 -1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0482 -1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9597 -0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9597 -0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4530 -1.0257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4530 -1.0257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5087 -1.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5087 -1.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3081 -2.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3081 -2.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3397 -2.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3397 -2.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2480 -1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2480 -1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
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| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
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| − | 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
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| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 33 42 1 0 0 0 0 | + | 33 42 1 0 0 0 0 |
| − | 37 29 1 0 0 0 0 | + | 37 29 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 |
| − | 45 49 1 0 0 0 0 | + | 45 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 43 51 1 0 0 0 0 | + | 43 51 1 0 0 0 0 |
| − | 46 40 1 0 0 0 0 | + | 46 40 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 1 1 0 0 0 | + | 53 54 1 1 0 0 0 |
| − | 55 54 1 1 0 0 0 | + | 55 54 1 1 0 0 0 |
| − | 56 55 1 1 0 0 0 | + | 56 55 1 1 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 52 1 0 0 0 0 | + | 57 52 1 0 0 0 0 |
| − | 55 58 1 0 0 0 0 | + | 55 58 1 0 0 0 0 |
| − | 54 59 1 0 0 0 0 | + | 54 59 1 0 0 0 0 |
| − | 53 60 1 0 0 0 0 | + | 53 60 1 0 0 0 0 |
| − | 52 61 1 0 0 0 0 | + | 52 61 1 0 0 0 0 |
| − | 32 56 1 0 0 0 0 | + | 32 56 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0097 | + | ID FL5FAAGS0097 |
| − | FORMULA C38H48O23 | + | FORMULA C38H48O23 |
| − | EXACTMASS 872.258637842 | + | EXACTMASS 872.258637842 |
| − | AVERAGEMASS 872.7739200000001 | + | AVERAGEMASS 872.7739200000001 |
| − | SMILES OC(C1O)C(COC(OC(C(O)2)C(C(OC2OCC(O3)C(C(O)C(OC(O7)C(C(O)C(C7C)O)O)C(OC(=C5c(c6)ccc(c6)O)C(c(c(O5)4)c(O)cc(O)c4)=O)3)O)C)O)1)O | + | SMILES OC(C1O)C(COC(OC(C(O)2)C(C(OC2OCC(O3)C(C(O)C(OC(O7)C(C(O)C(C7C)O)O)C(OC(=C5c(c6)ccc(c6)O)C(c(c(O5)4)c(O)cc(O)c4)=O)3)O)C)O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
61 67 0 0 0 0 0 0 0 0999 V2000
2.0450 3.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0450 3.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7594 2.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4739 3.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4739 3.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7594 4.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3305 2.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6160 3.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0985 2.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0985 1.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6160 1.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3305 1.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8129 3.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5274 2.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5274 1.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8129 1.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6160 0.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2419 3.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1238 1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0746 4.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8129 0.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5907 -0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4143 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5852 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3198 0.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1489 -0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4426 -0.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1157 -0.4962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5189 -0.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8194 -1.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3782 0.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2608 -1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4835 -2.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7711 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0538 -1.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2766 -1.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4358 -1.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2191 -2.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8131 -1.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6683 -3.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9370 -3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3754 -3.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5842 -3.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3155 -2.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8772 -3.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5202 -3.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4963 -4.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0746 -4.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6852 -1.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7738 -2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2804 -1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0482 -1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9597 -0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4530 -1.0257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5087 -1.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3081 -2.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3397 -2.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2480 -1.7194 0.0000 C 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
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 42 1 0 0 0 0
37 29 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
45 49 1 0 0 0 0
44 50 1 0 0 0 0
43 51 1 0 0 0 0
46 40 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 1 0 0 0
55 54 1 1 0 0 0
56 55 1 1 0 0 0
56 57 1 0 0 0 0
57 52 1 0 0 0 0
55 58 1 0 0 0 0
54 59 1 0 0 0 0
53 60 1 0 0 0 0
52 61 1 0 0 0 0
32 56 1 0 0 0 0
19 25 1 0 0 0 0
S SKP 5
ID FL5FAAGS0097
FORMULA C38H48O23
EXACTMASS 872.258637842
AVERAGEMASS 872.7739200000001
SMILES OC(C1O)C(COC(OC(C(O)2)C(C(OC2OCC(O3)C(C(O)C(OC(O7)C(C(O)C(C7C)O)O)C(OC(=C5c(c6)ccc(c6)O)C(c(c(O5)4)c(O)cc(O)c4)=O)3)O)C)O)1)O
M END
