Mol:FL3FACCS0021
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 |
| − | -1.5535 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5535 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5535 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5535 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8390 -2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8390 -2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1246 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1246 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1246 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1246 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8390 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8390 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5898 -2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5898 -2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3042 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3042 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3042 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3042 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5898 -0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5898 -0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5898 -2.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5898 -2.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2676 -0.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2676 -0.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6683 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6683 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4460 1.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4460 1.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1161 0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1161 0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1072 0.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1072 0.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5122 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5122 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9039 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9039 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 3.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 3.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4460 2.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4460 2.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5558 0.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5558 0.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8390 -3.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8390 -3.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0979 -0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0979 -0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8507 -0.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8507 -0.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6036 -0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6036 -0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6036 0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6036 0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8507 0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8507 0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0979 0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0979 0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2206 -1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2206 -1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7440 -2.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7440 -2.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0576 -2.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0576 -2.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3952 -2.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3952 -2.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8765 -1.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8765 -1.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4770 -2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4770 -2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0597 -1.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0597 -1.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3560 -2.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3560 -2.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4790 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4790 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3560 0.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3560 0.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3560 -0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3560 -0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4221 1.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4221 1.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4954 1.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4954 1.3900 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 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 29 1 0 0 0 0 | + | 34 29 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 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 2 1 0 0 0 0 | + | 32 2 1 0 0 0 0 |
| − | 26 38 1 0 0 0 0 | + | 26 38 1 0 0 0 0 |
| − | 25 39 1 0 0 0 0 | + | 25 39 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 18 40 1 0 0 0 0 | + | 18 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 40 41 | + | M SAL 1 2 40 41 |
| − | M SBL 1 1 45 | + | M SBL 1 1 45 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 45 -0.4818 -0.4818 | + | M SBV 1 45 -0.4818 -0.4818 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0021 | + | ID FL3FACCS0021 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c1c3C(O4)C(C(C(O)C4CO)O)O)C(C=C(c(c2)ccc(O)c2O)O1)=O)O | + | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c1c3C(O4)C(C(C(O)C4CO)O)O)C(C=C(c(c2)ccc(O)c2O)O1)=O)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/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.5535 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5535 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 -2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1246 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1246 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5898 -2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3042 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3042 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5898 -0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5898 -2.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2676 -0.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6683 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 1.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1161 0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1072 0.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5122 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9039 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 3.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 2.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5558 0.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 -3.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0979 -0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8507 -0.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6036 -0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6036 0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8507 0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0979 0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2206 -1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7440 -2.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0576 -2.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3952 -2.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8765 -1.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4770 -2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0597 -1.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3560 -2.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4790 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3560 0.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3560 -0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4221 1.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4954 1.3900 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
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 2 1 0 0 0 0
26 38 1 0 0 0 0
25 39 1 0 0 0 0
40 41 1 0 0 0 0
18 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 CH2OH
M SBV 1 45 -0.4818 -0.4818
S SKP 5
ID FL3FACCS0021
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c1c3C(O4)C(C(C(O)C4CO)O)O)C(C=C(c(c2)ccc(O)c2O)O1)=O)O
M END
