Mol:FL5FACGL0002
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 |
| − | -3.2031 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2031 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2031 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2031 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5019 0.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5019 0.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8007 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8007 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8007 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8007 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5019 1.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5019 1.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0994 0.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0994 0.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3982 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3982 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3982 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3982 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0994 1.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0994 1.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0994 -0.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0994 -0.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3027 1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3027 1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0175 1.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0175 1.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7322 1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7322 1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7322 2.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7322 2.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0175 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0175 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3027 2.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3027 2.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9041 1.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9041 1.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3950 0.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3950 0.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5019 -0.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5019 -0.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5312 3.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5312 3.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7560 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7560 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0214 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0214 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2545 -1.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2545 -1.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0214 -2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0214 -2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6583 -2.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6583 -2.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5230 -1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5230 -1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7104 -0.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7104 -0.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1522 -2.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1522 -2.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4175 -3.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4175 -3.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1864 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1864 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8117 -0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8117 -0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8997 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8997 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5304 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5304 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2925 0.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2925 0.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8117 0.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8117 0.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8997 0.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8997 0.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0175 4.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0175 4.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0538 -2.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0538 -2.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2987 -4.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2987 -4.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8997 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8997 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9041 -1.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9041 -1.1839 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 16 38 1 0 0 0 0 | + | 16 38 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 25 39 1 0 0 0 0 | + | 25 39 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 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 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 44 0.0752 0.7468 | + | M SBV 1 44 0.0752 0.7468 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 41 42 | + | M SAL 2 2 41 42 |
| − | M SBL 2 1 46 | + | M SBL 2 1 46 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 46 0.0000 0.6641 | + | M SBV 2 46 0.0000 0.6641 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGL0002 | + | ID FL5FACGL0002 |
| − | FORMULA C26H28O16 | + | FORMULA C26H28O16 |
| − | EXACTMASS 596.137734848 | + | EXACTMASS 596.137734848 |
| − | AVERAGEMASS 596.49092 | + | AVERAGEMASS 596.49092 |
| − | SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(O2)C(C(O)C(C(CO)2)O)OC(C(O)1)OCC1(O)CO)=O)O | + | SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(O2)C(C(O)C(C(CO)2)O)OC(C(O)1)OCC1(O)CO)=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
-3.2031 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2031 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5019 0.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8007 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8007 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5019 1.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0994 0.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3982 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3982 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0994 1.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0994 -0.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3027 1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0175 1.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7322 1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7322 2.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0175 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3027 2.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9041 1.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 0.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5019 -0.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5312 3.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7560 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0214 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2545 -1.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0214 -2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6583 -2.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5230 -1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7104 -0.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1522 -2.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4175 -3.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1864 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8117 -0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8997 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5304 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2925 0.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8117 0.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8997 0.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0175 4.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0538 -2.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2987 -4.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8997 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9041 -1.1839 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
9 12 1 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 19 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 31 1 0 0 0 0
32 36 1 0 0 0 0
33 37 1 0 0 0 0
28 31 1 0 0 0 0
16 38 1 0 0 0 0
39 40 1 0 0 0 0
25 39 1 0 0 0 0
41 42 1 0 0 0 0
33 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 ^ CH2OH
M SBV 1 44 0.0752 0.7468
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 CH2OH
M SBV 2 46 0.0000 0.6641
S SKP 5
ID FL5FACGL0002
FORMULA C26H28O16
EXACTMASS 596.137734848
AVERAGEMASS 596.49092
SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(O2)C(C(O)C(C(CO)2)O)OC(C(O)1)OCC1(O)CO)=O)O
M END
