Mol:FL3FAACS0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4627 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4627 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4627 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4627 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7482 -2.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7482 -2.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0337 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0337 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0337 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0337 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7482 -0.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7482 -0.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6808 -2.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6808 -2.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3954 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3954 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3954 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3954 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6808 -0.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6808 -0.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6808 -2.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6808 -2.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1770 -0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1770 -0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4743 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4743 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2522 1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2522 1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9221 0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9221 0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9133 0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9133 0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3182 0.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3182 0.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7100 1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7100 1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8089 2.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8089 2.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2522 2.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2522 2.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 0.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 0.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7482 -2.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7482 -2.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1891 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1891 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9420 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9420 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6950 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6950 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6950 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6950 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9420 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9420 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1891 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1891 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4475 0.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4475 0.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9652 -1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9652 -1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4886 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4886 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8021 -2.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8021 -2.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1395 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1395 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6210 -1.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6210 -1.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2215 -1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2215 -1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4475 -1.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4475 -1.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1133 -2.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1133 -2.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1929 -2.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1929 -2.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3130 1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3130 1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3291 2.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3291 2.9471 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 9 1 0 0 0 0 | + | 23 9 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 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 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 2 1 0 0 0 0 | + | 33 2 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 18 39 1 0 0 0 0 | + | 18 39 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 -0.3970 -0.3970 | + | M SBV 1 44 -0.3970 -0.3970 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0013 | + | ID FL3FAACS0013 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O | + | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.4627 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4627 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7482 -2.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0337 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0337 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7482 -0.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6808 -2.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3954 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3954 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6808 -0.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6808 -2.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1770 -0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4743 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2522 1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9221 0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9133 0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3182 0.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7100 1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8089 2.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2522 2.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 0.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7482 -2.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1891 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9420 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6950 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6950 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9420 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1891 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4475 0.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9652 -1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4886 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8021 -2.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1395 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6210 -1.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2215 -1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4475 -1.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1133 -2.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1929 -2.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3130 1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3291 2.9471 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
23 9 1 0 0 0 0
26 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
32 38 1 0 0 0 0
33 2 1 0 0 0 0
39 40 1 0 0 0 0
18 39 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 -0.3970 -0.3970
S SKP 5
ID FL3FAACS0013
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O
M END
