Mol:FL3FCACS0011
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 |
| − | -1.1904 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1904 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1904 -1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1904 -1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4759 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4759 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2386 -1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2386 -1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2386 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2386 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4759 -0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4759 -0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9530 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9530 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6675 -1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6675 -1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6675 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6675 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9530 -0.2776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9530 -0.2776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9530 -2.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9530 -2.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4612 -0.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4612 -0.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2140 -0.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2140 -0.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9669 -0.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9669 -0.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9669 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9669 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2140 1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2140 1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4612 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4612 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7194 1.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7194 1.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4141 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4141 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1918 2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1918 2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8619 1.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8619 1.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8530 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8530 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2580 0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2580 0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6497 1.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6497 1.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3059 2.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3059 2.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2230 0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2230 0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4759 -2.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4759 -2.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6987 -1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6987 -1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2220 -2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2220 -2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5355 -1.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5355 -1.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8732 -1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8732 -1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3546 -1.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3546 -1.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9551 -1.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9551 -1.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3618 -1.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3618 -1.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9432 -2.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9432 -2.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9347 -2.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9347 -2.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1992 2.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1992 2.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5447 -0.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5447 -0.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1869 1.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1869 1.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6002 -1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6002 -1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7194 -0.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7194 -0.6645 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 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 12 9 1 0 0 0 0 | + | 12 9 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 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 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 2 1 0 0 0 0 | + | 31 2 1 0 0 0 0 |
| − | 20 37 1 0 0 0 0 | + | 20 37 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 1 38 1 0 0 0 0 | + | 1 38 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 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 38 39 | + | M SAL 1 2 38 39 |
| − | M SBL 1 1 43 | + | M SBL 1 1 43 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 43 0.3544 -0.5871 | + | M SBV 1 43 0.3544 -0.5871 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 40 41 | + | M SAL 2 2 40 41 |
| − | M SBL 2 1 45 | + | M SBL 2 1 45 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 45 0.6451 -0.4963 | + | M SBV 2 45 0.6451 -0.4963 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCACS0011 | + | ID FL3FCACS0011 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES COc(c4C(O5)C(C(O)C(C5CO)O)O)c(c(O2)c(c4O)C(=O)C=C(c(c3)ccc(O)c3)2)C(O1)C(O)C(C(O)C1)O | + | SMILES COc(c4C(O5)C(C(O)C(C5CO)O)O)c(c(O2)c(c4O)C(=O)C=C(c(c3)ccc(O)c3)2)C(O1)C(O)C(C(O)C1)O |
M END | M END | ||
| − | |||
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
-1.1904 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1904 -1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4759 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2386 -1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2386 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4759 -0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9530 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6675 -1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6675 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9530 -0.2776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9530 -2.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 -0.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2140 -0.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9669 -0.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9669 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2140 1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7194 1.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4141 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1918 2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8619 1.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8530 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2580 0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6497 1.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3059 2.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2230 0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4759 -2.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6987 -1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2220 -2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5355 -1.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8732 -1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3546 -1.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9551 -1.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3618 -1.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9432 -2.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9347 -2.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1992 2.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5447 -0.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1869 1.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6002 -1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7194 -0.6645 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
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
12 9 1 0 0 0 0
15 18 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
21 26 1 0 0 0 0
6 22 1 0 0 0 0
3 27 1 0 0 0 0
28 29 1 1 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 2 1 0 0 0 0
20 37 1 0 0 0 0
38 39 1 0 0 0 0
1 38 1 0 0 0 0
40 41 1 0 0 0 0
33 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 43
M SMT 1 ^ OCH3
M SBV 1 43 0.3544 -0.5871
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 40 41
M SBL 2 1 45
M SMT 2 ^ CH2OH
M SBV 2 45 0.6451 -0.4963
S SKP 5
ID FL3FCACS0011
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES COc(c4C(O5)C(C(O)C(C5CO)O)O)c(c(O2)c(c4O)C(=O)C=C(c(c3)ccc(O)c3)2)C(O1)C(O)C(C(O)C1)O
M END
