Mol:FL3FEAGS0020
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0513 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0513 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0513 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0513 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3502 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3502 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6492 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6492 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6492 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6492 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3502 -0.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3502 -0.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0519 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0519 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7530 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7530 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7530 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7530 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0519 -0.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0519 -0.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0520 -2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0520 -2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4538 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4538 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1683 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1683 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8827 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8827 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8827 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8827 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1683 1.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1683 1.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4538 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4538 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3553 -2.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3553 -2.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0906 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0906 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5541 -0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5541 -0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4124 0.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4124 0.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8190 1.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8190 1.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3362 2.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3362 2.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4783 1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4783 1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6951 2.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6951 2.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5776 2.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5776 2.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9722 2.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9722 2.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7081 0.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7081 0.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7691 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7691 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6980 -1.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6980 -1.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9236 -2.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9236 -2.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5977 1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5977 1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7081 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7081 0.5637 0.0000 C 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 |
| − | 18 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 20 19 1 1 0 0 0 | + | 20 19 1 1 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 19 1 1 0 0 0 | + | 24 19 1 1 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | 20 29 1 0 0 0 0 | + | 20 29 1 0 0 0 0 |
| − | 29 1 1 0 0 0 0 | + | 29 1 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 30 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 32 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 34 0.6467 0.3902 | + | M SBV 1 34 0.6467 0.3902 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 36 -0.7150 -0.4616 | + | M SBV 2 36 -0.7150 -0.4616 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0020 | + | ID FL3FEAGS0020 |
| − | FORMULA C23H24O10 | + | FORMULA C23H24O10 |
| − | EXACTMASS 460.136946988 | + | EXACTMASS 460.136946988 |
| − | AVERAGEMASS 460.43066 | + | AVERAGEMASS 460.43066 |
| − | SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(OC)c2)=C1 | + | SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(OC)c2)=C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.0513 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0513 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3502 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6492 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6492 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3502 -0.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0519 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7530 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7530 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0519 -0.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 -2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4538 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1683 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8827 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8827 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1683 1.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4538 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3553 -2.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0906 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5541 -0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4124 0.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8190 1.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3362 2.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4783 1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6951 2.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5776 2.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9722 2.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7081 0.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7691 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6980 -1.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9236 -2.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5977 1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7081 0.5637 0.0000 C 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
18 3 1 0 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 19 1 1 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
24 27 1 0 0 0 0
19 28 1 0 0 0 0
20 29 1 0 0 0 0
29 1 1 0 0 0 0
30 31 1 0 0 0 0
2 30 1 0 0 0 0
32 33 1 0 0 0 0
15 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^ OCH3
M SBV 1 34 0.6467 0.3902
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 -0.7150 -0.4616
S SKP 5
ID FL3FEAGS0020
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(OC)c2)=C1
M END
