Mol:FL3FEAGS0051
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.2164 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2164 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2164 -1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2164 -1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4980 -1.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4980 -1.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2125 -1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2125 -1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2125 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2125 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4980 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4980 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9270 -1.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9270 -1.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6415 -1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6415 -1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6415 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6415 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9270 -0.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9270 -0.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3558 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3558 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0703 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0703 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7848 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7848 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7848 0.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7848 0.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0703 1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0703 1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3558 0.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3558 0.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9270 -2.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9270 -2.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4980 -2.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4980 -2.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5311 1.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5311 1.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9359 -0.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9359 -0.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9033 -1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9033 -1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1966 0.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1966 0.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6871 0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6871 0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2746 -0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2746 -0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4763 -0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4763 -0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6828 -0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6828 -0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0954 0.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0954 0.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8938 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8938 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9484 -1.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9484 -1.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3544 -0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3544 -0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8858 -0.4677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8858 -0.4677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3640 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3640 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9625 0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9625 0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8650 1.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8650 1.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6010 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6010 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3317 1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3317 1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4975 0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4975 0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7617 0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7617 0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0308 1.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0308 1.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4575 2.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4575 2.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9871 2.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9871 2.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9604 1.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9604 1.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1966 0.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1966 0.5626 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 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0051 | + | ID FL3FEAGS0051 |
| − | FORMULA C28H32O15 | + | FORMULA C28H32O15 |
| − | EXACTMASS 608.174120354 | + | EXACTMASS 608.174120354 |
| − | AVERAGEMASS 608.54468 | + | AVERAGEMASS 608.54468 |
| − | SMILES O(C)c(c1)ccc(C(=C5)Oc(c(C(=O)5)4)cc(c(O)c4O)OC(O2)C(O)C(O)C(C2COC(O3)C(C(C(O)C(C)3)O)O)O)c1 | + | SMILES O(C)c(c1)ccc(C(=C5)Oc(c(C(=O)5)4)cc(c(O)c4O)OC(O2)C(O)C(O)C(C2COC(O3)C(C(C(O)C(C)3)O)O)O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.2164 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2164 -1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4980 -1.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 -1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4980 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9270 -1.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6415 -1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6415 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9270 -0.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3558 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0703 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7848 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7848 0.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0703 1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3558 0.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9270 -2.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4980 -2.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5311 1.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9359 -0.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9033 -1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1966 0.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6871 0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2746 -0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4763 -0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6828 -0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0954 0.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8938 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9484 -1.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3544 -0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8858 -0.4677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3640 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9625 0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8650 1.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6010 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3317 1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4975 0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7617 0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0308 1.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4575 2.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9871 2.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9604 1.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1966 0.5626 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
2 21 1 0 0 0 0
19 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
25 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
36 42 1 0 0 0 0
37 43 1 0 0 0 0
33 38 1 0 0 0 0
20 26 1 0 0 0 0
S SKP 5
ID FL3FEAGS0051
FORMULA C28H32O15
EXACTMASS 608.174120354
AVERAGEMASS 608.54468
SMILES O(C)c(c1)ccc(C(=C5)Oc(c(C(=O)5)4)cc(c(O)c4O)OC(O2)C(O)C(O)C(C2COC(O3)C(C(C(O)C(C)3)O)O)O)c1
M END
