Mol:FL2F1AGS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.4404 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4404 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7277 1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7277 1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4372 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4372 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7204 0.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7204 0.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0078 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0078 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0114 1.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0114 1.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2915 0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2915 0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5788 0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5788 0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5825 1.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5825 1.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2988 1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2988 1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0713 1.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0713 1.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7873 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7873 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5002 1.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5002 1.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4970 2.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4970 2.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7810 2.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7810 2.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0681 2.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0681 2.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2904 -0.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2904 -0.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0658 1.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0658 1.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2043 2.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2043 2.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2435 0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2435 0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0596 0.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0596 0.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1571 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1571 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6586 1.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6586 1.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8425 1.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8425 1.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7449 0.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7449 0.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2467 0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2467 0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9164 0.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9164 0.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0653 -0.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0653 -0.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5952 -0.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5952 -0.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9207 1.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9207 1.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7645 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7645 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2432 -1.9621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2432 -1.9621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0658 -1.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0658 -1.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2534 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2534 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6073 -0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6073 -0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2517 -1.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2517 -1.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6018 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6018 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7471 -0.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7471 -0.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7022 -1.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7022 -1.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2374 -2.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2374 -2.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6872 -2.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6872 -2.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7337 -2.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7337 -2.8976 0.0000 C 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 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 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 37 31 1 1 0 0 0 | + | 37 31 1 1 0 0 0 |
| − | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
| − | 35 37 1 1 0 0 0 | + | 35 37 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 37 33 1 0 0 0 0 | + | 37 33 1 0 0 0 0 |
| − | 38 35 1 0 0 0 0 | + | 38 35 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 31 34 1 0 0 0 0 | + | 31 34 1 0 0 0 0 |
| − | 30 35 1 0 0 0 0 | + | 30 35 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 40 42 1 0 0 0 0 | + | 40 42 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2F1AGS0006 | + | ID FL2F1AGS0006 |
| − | FORMULA C28H32O14 | + | FORMULA C28H32O14 |
| − | EXACTMASS 592.179205732 | + | EXACTMASS 592.179205732 |
| − | AVERAGEMASS 592.54528 | + | AVERAGEMASS 592.54528 |
| − | SMILES c(c5)c(C1=O)c(cc5O)OC(c(c4)ccc(c4)OC(C2OC(O3)C(O)C(OC(C)=O)(C3)CO)OC(CO)C(O)C(O)2)C1 | + | SMILES c(c5)c(C1=O)c(cc5O)OC(c(c4)ccc(c4)OC(C2OC(O3)C(O)C(OC(C)=O)(C3)CO)OC(CO)C(O)C(O)2)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.4404 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7277 1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4372 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7204 0.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0078 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0114 1.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2915 0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5788 0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5825 1.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2988 1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0713 1.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7873 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5002 1.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4970 2.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7810 2.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0681 2.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2904 -0.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0658 1.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2043 2.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2435 0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0596 0.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1571 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6586 1.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8425 1.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7449 0.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2467 0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9164 0.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0653 -0.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5952 -0.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9207 1.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7645 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2432 -1.9621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0658 -1.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2534 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6073 -0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2517 -1.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6018 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7471 -0.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7022 -1.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2374 -2.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6872 -2.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7337 -2.8976 0.0000 C 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
14 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 19 1 0 0 0 0
37 31 1 1 0 0 0
36 31 1 1 0 0 0
35 37 1 1 0 0 0
31 32 1 0 0 0 0
37 33 1 0 0 0 0
38 35 1 0 0 0 0
34 39 1 0 0 0 0
36 38 1 0 0 0 0
31 34 1 0 0 0 0
30 35 1 0 0 0 0
32 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
S SKP 5
ID FL2F1AGS0006
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES c(c5)c(C1=O)c(cc5O)OC(c(c4)ccc(c4)OC(C2OC(O3)C(O)C(OC(C)=O)(C3)CO)OC(CO)C(O)C(O)2)C1
M END
