Mol:FL63ACGS0004
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 |
| − | -3.3382 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3382 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3382 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3382 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6238 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6238 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9093 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9093 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9093 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9093 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6238 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6238 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1949 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1949 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4804 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4804 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4804 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4804 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1949 1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1949 1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2340 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2340 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9544 1.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9544 1.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6748 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6748 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6748 2.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6748 2.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9544 2.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9544 2.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2340 2.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2340 2.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3643 2.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3643 2.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0527 1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0527 1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2340 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2340 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6238 -0.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6238 -0.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3693 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3693 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7285 -0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7285 -0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4463 -0.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4463 -0.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9645 -1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9645 -1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6054 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6054 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8875 -0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8875 -0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8134 0.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8134 0.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3272 -1.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3272 -1.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9399 -1.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9399 -1.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9150 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9150 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2958 -3.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2958 -3.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1472 -2.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1472 -2.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2927 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2927 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0580 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0580 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4608 -2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4608 -2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2663 -2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2663 -2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6691 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6691 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2663 -3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2663 -3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4608 -3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4608 -3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9544 3.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9544 3.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6737 -1.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6737 -1.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0527 -1.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0527 -1.8407 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 |
| − | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 15 40 1 0 0 0 0 | + | 15 40 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 24 41 1 0 0 0 0 | + | 24 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 -0.7092 0.4205 | + | M SBV 1 46 -0.7092 0.4205 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL63ACGS0004 | + | ID FL63ACGS0004 |
| − | FORMULA C30H30O12 | + | FORMULA C30H30O12 |
| − | EXACTMASS 582.173726424 | + | EXACTMASS 582.173726424 |
| − | AVERAGEMASS 582.552 | + | AVERAGEMASS 582.552 |
| − | SMILES C(=Cc(c5)cccc5)C(=O)OC(C1O)C(C(OC1OC(C(c(c4)ccc(O)c(O)4)2)Cc(c(O)3)c(cc(O)c3)O2)CO)O | + | SMILES C(=Cc(c5)cccc5)C(=O)OC(C1O)C(C(OC1OC(C(c(c4)ccc(O)c(O)4)2)Cc(c(O)3)c(cc(O)c3)O2)CO)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
-3.3382 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3382 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6238 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9093 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9093 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6238 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1949 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4804 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4804 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1949 1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2340 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9544 1.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6748 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6748 2.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9544 2.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2340 2.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3643 2.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0527 1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2340 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6238 -0.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3693 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7285 -0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4463 -0.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9645 -1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6054 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8875 -0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8134 0.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3272 -1.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9399 -1.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9150 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2958 -3.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1472 -2.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2927 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0580 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4608 -2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2663 -2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6691 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2663 -3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4608 -3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9544 3.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6737 -1.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0527 -1.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 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 1 1 0 0 0 0
4 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 5 1 0 0 0 0
9 11 1 6 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
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 6 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 19 1 0 0 0 0
24 23 1 1 0 0 0
28 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 34 1 0 0 0 0
15 40 1 0 0 0 0
41 42 1 0 0 0 0
24 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 -0.7092 0.4205
S SKP 5
ID FL63ACGS0004
FORMULA C30H30O12
EXACTMASS 582.173726424
AVERAGEMASS 582.552
SMILES C(=Cc(c5)cccc5)C(=O)OC(C1O)C(C(OC1OC(C(c(c4)ccc(O)c(O)4)2)Cc(c(O)3)c(cc(O)c3)O2)CO)O
M END
