Mol:FL2F1AGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.3672 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3672 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3672 -1.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3672 -1.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6527 -2.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6527 -2.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9383 -1.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9383 -1.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9383 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9383 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6527 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6527 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2239 -2.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2239 -2.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5095 -1.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5095 -1.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5095 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5095 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2239 -0.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2239 -0.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7953 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7953 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0671 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0671 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6610 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6610 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6610 0.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6610 0.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0671 0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0671 0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7953 0.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7953 0.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2239 -2.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2239 -2.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3890 0.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3890 0.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7638 0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7638 0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9852 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9852 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8535 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8535 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4927 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4927 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2713 -0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2713 -0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4030 -0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4030 -0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0667 0.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0667 0.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9146 -0.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9146 -0.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0989 0.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0989 0.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9765 -0.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9765 -0.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6900 1.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6900 1.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4011 2.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4011 2.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9415 1.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9415 1.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4104 2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4104 2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4681 2.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4681 2.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9337 2.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9337 2.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7274 2.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7274 2.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2273 -1.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2273 -1.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9765 -1.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9765 -1.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9398 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9398 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9629 1.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9629 1.4590 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 32 29 1 1 0 0 0 | + | 32 29 1 1 0 0 0 |
| − | 31 29 1 1 0 0 0 | + | 31 29 1 1 0 0 0 |
| − | 30 32 1 1 0 0 0 | + | 30 32 1 1 0 0 0 |
| − | 33 30 1 0 0 0 0 | + | 33 30 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 32 35 1 0 0 0 0 | + | 32 35 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 22 36 1 0 0 0 0 | + | 22 36 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 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 36 37 | + | M SAL 1 2 36 37 |
| − | M SBL 1 1 41 | + | M SBL 1 1 41 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 41 -0.7346 0.2090 | + | M SBV 1 41 -0.7346 0.2090 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 38 39 | + | M SAL 2 2 38 39 |
| − | M SBL 2 1 43 | + | M SBL 2 1 43 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 43 -0.5293 0.4918 | + | M SBV 2 43 -0.5293 0.4918 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2F1AGS0003 | + | ID FL2F1AGS0003 |
| − | FORMULA C26H30O13 | + | FORMULA C26H30O13 |
| − | EXACTMASS 550.168641046 | + | EXACTMASS 550.168641046 |
| − | AVERAGEMASS 550.5086 | + | AVERAGEMASS 550.5086 |
| − | SMILES c(c(O)5)cc(C4=O)c(c5)OC(C4)c(c1)ccc(OC(C(OC(O3)C(O)C(O)(C3)CO)2)OC(C(O)C2O)CO)c1 | + | SMILES c(c(O)5)cc(C4=O)c(c5)OC(C4)c(c1)ccc(OC(C(OC(O3)C(O)C(O)(C3)CO)2)OC(C(O)C2O)CO)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/
39 43 0 0 0 0 0 0 0 0999 V2000
-4.3672 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3672 -1.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6527 -2.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9383 -1.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9383 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6527 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2239 -2.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5095 -1.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5095 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2239 -0.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0671 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6610 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6610 0.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0671 0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 0.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2239 -2.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3890 0.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7638 0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9852 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8535 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4927 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2713 -0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0667 0.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9146 -0.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0989 0.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9765 -0.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6900 1.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 2.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9415 1.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4104 2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4681 2.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9337 2.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7274 2.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2273 -1.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9765 -1.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9398 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9629 1.4590 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 1 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
14 18 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
23 26 1 0 0 0 0
24 27 1 0 0 0 0
18 20 1 0 0 0 0
1 28 1 0 0 0 0
32 29 1 1 0 0 0
31 29 1 1 0 0 0
30 32 1 1 0 0 0
33 30 1 0 0 0 0
31 33 1 0 0 0 0
29 34 1 0 0 0 0
32 35 1 0 0 0 0
25 31 1 0 0 0 0
36 37 1 0 0 0 0
22 36 1 0 0 0 0
38 39 1 0 0 0 0
32 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 41
M SMT 1 CH2OH
M SBV 1 41 -0.7346 0.2090
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 38 39
M SBL 2 1 43
M SMT 2 CH2OH
M SBV 2 43 -0.5293 0.4918
S SKP 5
ID FL2F1AGS0003
FORMULA C26H30O13
EXACTMASS 550.168641046
AVERAGEMASS 550.5086
SMILES c(c(O)5)cc(C4=O)c(c5)OC(C4)c(c1)ccc(OC(C(OC(O3)C(O)C(O)(C3)CO)2)OC(C(O)C2O)CO)c1
M END
