Mol:FL3FACCS0033
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 |
| − | -1.1902 -0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1902 -0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1902 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1902 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4758 -1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4758 -1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2386 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2386 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2386 -0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2386 -0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4758 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4758 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9531 -1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9531 -1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6675 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6675 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6675 -0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6675 -0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9531 0.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9531 0.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9531 -2.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9531 -2.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4744 -2.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4744 -2.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5407 0.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5407 0.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2935 -0.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2935 -0.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0463 0.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0463 0.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0463 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0463 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2935 1.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2935 1.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5407 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5407 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7553 1.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7553 1.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0982 -1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0982 -1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4359 -1.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4359 -1.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7737 -1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7737 -1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8732 -1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8732 -1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5089 -0.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5089 -0.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2240 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2240 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7553 -1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7553 -1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2609 -1.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2609 -1.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9252 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9252 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0450 -1.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0450 -1.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2932 1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2932 1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8959 0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8959 0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0991 0.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0991 0.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3784 0.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3784 0.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8089 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8089 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5219 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5219 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9358 1.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9358 1.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6880 0.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6880 0.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8205 1.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8205 1.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8977 1.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8977 1.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2949 2.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2949 2.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6773 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6773 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4265 -0.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4265 -0.0297 0.0000 O 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 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 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 6 33 1 0 0 0 0 | + | 6 33 1 0 0 0 0 |
| − | 17 40 1 0 0 0 0 | + | 17 40 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 25 41 1 0 0 0 0 | + | 25 41 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 41 42 | + | M SAL 1 2 41 42 |
| − | M SBL 1 1 46 | + | M SBL 1 1 46 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 46 0.4533 -0.4961 | + | M SBV 1 46 0.4533 -0.4961 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0033 | + | ID FL3FACCS0033 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES C(C(C5O)OC(C(C5O)O)c(c(O)1)c(c(C(O4)C(C(C(O)C4C)O)O)c(O2)c(C(=O)C=C2c(c3)ccc(O)c3O)1)O)O | + | SMILES C(C(C5O)OC(C(C5O)O)c(c(O)1)c(c(C(O4)C(C(C(O)C4C)O)O)c(O2)c(C(=O)C=C2c(c3)ccc(O)c3O)1)O)O |
M END | M END | ||
| − | |||
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
-1.1902 -0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1902 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4758 -1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2386 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2386 -0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4758 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9531 -1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6675 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6675 -0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9531 0.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9531 -2.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4744 -2.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5407 0.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2935 -0.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0463 0.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0463 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2935 1.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5407 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7553 1.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0982 -1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4359 -1.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7737 -1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8732 -1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5089 -0.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2240 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7553 -1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2609 -1.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9252 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0450 -1.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2932 1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8959 0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0991 0.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3784 0.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8089 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5219 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9358 1.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6880 0.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8205 1.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8977 1.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2949 2.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6773 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4265 -0.0297 0.0000 O 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 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
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 23 1 0 0 0 0
1 28 1 0 0 0 0
22 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
34 38 1 0 0 0 0
35 39 1 0 0 0 0
6 33 1 0 0 0 0
17 40 1 0 0 0 0
41 42 1 0 0 0 0
25 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 ^CH2OH
M SBV 1 46 0.4533 -0.4961
S SKP 5
ID FL3FACCS0033
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C(C5O)OC(C(C5O)O)c(c(O)1)c(c(C(O4)C(C(C(O)C4C)O)O)c(O2)c(C(=O)C=C2c(c3)ccc(O)c3O)1)O)O
M END
