Mol:FL2FABGS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0245 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0245 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6882 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6882 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0213 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0213 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6955 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6955 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4081 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4081 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4045 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4045 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1244 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1244 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8372 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8372 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8335 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8335 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1171 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1171 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4873 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4873 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2033 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2033 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9162 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9162 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9130 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9130 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1970 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1970 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4841 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4841 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1255 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1255 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6499 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6499 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6955 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6955 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5318 1.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5318 1.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1434 1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1434 1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1214 -0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1214 -0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4067 -1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4067 -1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8199 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8199 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0192 -0.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0192 -0.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7340 0.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7340 0.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3209 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3209 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0050 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0050 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7887 -0.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7887 -0.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3988 -1.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3988 -1.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9040 -1.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9040 -1.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0366 -0.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0366 -0.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3333 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3333 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1493 -1.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1493 -1.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3333 -0.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3333 -0.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7814 -0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7814 -0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6985 -0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6985 -0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1493 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1493 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7393 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7393 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6985 -1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6985 -1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1434 -1.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1434 -1.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 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 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 38 33 1 1 0 0 0 | + | 38 33 1 1 0 0 0 |
| − | 37 33 1 1 0 0 0 | + | 37 33 1 1 0 0 0 |
| − | 36 38 1 1 0 0 0 | + | 36 38 1 1 0 0 0 |
| − | 38 34 1 0 0 0 0 | + | 38 34 1 0 0 0 0 |
| − | 39 36 1 0 0 0 0 | + | 39 36 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 29 36 1 0 0 0 0 | + | 29 36 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FABGS0009 | + | ID FL2FABGS0009 |
| − | FORMULA C27H32O14 | + | FORMULA C27H32O14 |
| − | EXACTMASS 580.179205732 | + | EXACTMASS 580.179205732 |
| − | AVERAGEMASS 580.53458 | + | AVERAGEMASS 580.53458 |
| − | SMILES O(CC(O2)C(O)C(C(O)C(Oc(c3)cc(O)c(C5=O)c3OC(C5)c(c4)ccc(OC)c4)2)O)C(C(O)1)OC(CO)C1O | + | SMILES O(CC(O2)C(O)C(C(O)C(Oc(c3)cc(O)c(C5=O)c3OC(C5)c(c4)ccc(OC)c4)2)O)C(C(O)1)OC(CO)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-0.0245 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6882 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0213 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6955 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4081 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4045 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1244 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8372 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8335 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1171 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4873 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2033 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9162 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9130 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1970 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4841 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1255 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6499 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6955 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5318 1.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1434 1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1214 -0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4067 -1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8199 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0192 -0.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7340 0.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3209 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0050 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7887 -0.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3988 -1.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9040 -1.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0366 -0.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3333 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1493 -1.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3333 -0.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7814 -0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6985 -0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1493 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7393 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6985 -1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1434 -1.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 19 1 0 0 0 0
14 20 1 0 0 0 0
20 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
25 18 1 0 0 0 0
38 33 1 1 0 0 0
37 33 1 1 0 0 0
36 38 1 1 0 0 0
38 34 1 0 0 0 0
39 36 1 0 0 0 0
37 39 1 0 0 0 0
33 35 1 0 0 0 0
37 40 1 0 0 0 0
40 41 1 0 0 0 0
29 36 1 0 0 0 0
S SKP 5
ID FL2FABGS0009
FORMULA C27H32O14
EXACTMASS 580.179205732
AVERAGEMASS 580.53458
SMILES O(CC(O2)C(O)C(C(O)C(Oc(c3)cc(O)c(C5=O)c3OC(C5)c(c4)ccc(OC)c4)2)O)C(C(O)1)OC(CO)C1O
M END
