Mol:FL3FF8GS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7924 -1.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7924 -1.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7924 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7924 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0913 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0913 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3903 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3903 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3903 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3903 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0913 -1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0913 -1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3108 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3108 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0119 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0119 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0119 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0119 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3108 -1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3108 -1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3108 -3.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3108 -3.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7127 -1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7127 -1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4272 -1.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4272 -1.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1416 -1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1416 -1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1416 -0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1416 -0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4272 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4272 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7127 -0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7127 -0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0913 -3.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0913 -3.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5048 1.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5048 1.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0381 1.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0381 1.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5048 2.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5048 2.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7526 2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7526 2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7884 3.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7884 3.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2797 3.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2797 3.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6091 1.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6091 1.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0564 -0.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0564 -0.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4272 -2.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4272 -2.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3645 -1.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3645 -1.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1416 -0.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1416 -0.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0578 2.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0578 2.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0578 3.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0578 3.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8305 2.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8305 2.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0913 -0.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0913 -0.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4725 0.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4725 0.6709 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 17 28 1 0 0 0 0 | + | 17 28 1 0 0 0 0 |
| − | 28 20 1 0 0 0 0 | + | 28 20 1 0 0 0 0 |
| − | 13 29 1 0 0 0 0 | + | 13 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 6 35 1 0 0 0 0 | + | 6 35 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 0.5721 -0.3303 | + | M SBV 1 34 0.5721 -0.3303 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 3 32 33 34 | + | M SAL 2 3 32 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 ^ COOH | + | M SMT 2 ^ COOH |
| − | M SBV 2 37 0.6948 -0.5802 | + | M SBV 2 37 0.6948 -0.5802 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 35 36 | + | M SAL 3 2 35 36 |
| − | M SBL 3 1 39 | + | M SBL 3 1 39 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SBV 3 39 0.0000 -0.6677 | + | M SBV 3 39 0.0000 -0.6677 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FF8GS0007 | + | ID FL3FF8GS0007 |
| − | FORMULA C23H22O13 | + | FORMULA C23H22O13 |
| − | EXACTMASS 506.10604078999995 | + | EXACTMASS 506.10604078999995 |
| − | AVERAGEMASS 506.41298000000006 | + | AVERAGEMASS 506.41298000000006 |
| − | SMILES c(c(O)1)(C(=O)2)c(OC(c(c(OC(O4)C(O)C(C(O)C4C(O)=O)O)3)c(O)ccc3)=C2)c(c(c1)OC)OC | + | SMILES c(c(O)1)(C(=O)2)c(OC(c(c(OC(O4)C(O)C(C(O)C4C(O)=O)O)3)c(O)ccc3)=C2)c(c(c1)OC)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-1.7924 -1.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7924 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0913 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0913 -1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3108 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0119 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0119 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3108 -1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3108 -3.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7127 -1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4272 -1.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1416 -1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1416 -0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4272 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7127 -0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0913 -3.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5048 1.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0381 1.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5048 2.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7526 2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7884 3.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2797 3.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6091 1.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0564 -0.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4272 -2.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3645 -1.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1416 -0.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0578 2.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0578 3.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8305 2.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0913 -0.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4725 0.6709 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
3 18 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
21 27 1 0 0 0 0
17 28 1 0 0 0 0
28 20 1 0 0 0 0
13 29 1 0 0 0 0
30 31 1 0 0 0 0
1 30 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
24 32 1 0 0 0 0
35 36 1 0 0 0 0
6 35 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 0.5721 -0.3303
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 32 33 34
M SBL 2 1 37
M SMT 2 ^ COOH
M SBV 2 37 0.6948 -0.5802
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 35 36
M SBL 3 1 39
M SMT 3 OCH3
M SBV 3 39 0.0000 -0.6677
S SKP 5
ID FL3FF8GS0007
FORMULA C23H22O13
EXACTMASS 506.10604078999995
AVERAGEMASS 506.41298000000006
SMILES c(c(O)1)(C(=O)2)c(OC(c(c(OC(O4)C(O)C(C(O)C4C(O)=O)O)3)c(O)ccc3)=C2)c(c(c1)OC)OC
M END
