Mol:FL7AADGO0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1352 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1352 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1352 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1352 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4341 -1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4341 -1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7331 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7331 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7331 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7331 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4341 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4341 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0320 -1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0320 -1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3309 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3309 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3309 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3309 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0320 -0.2807 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.0320 -0.2807 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3699 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3699 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0843 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0843 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7988 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7988 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7988 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7988 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0843 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0843 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3699 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3699 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4429 -1.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4429 -1.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8360 -0.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8360 -0.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3759 0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3759 0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7696 -1.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7696 -1.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2638 -2.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2638 -2.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2366 -1.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2366 -1.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3108 -2.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3108 -2.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8360 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8360 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7484 -1.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7484 -1.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0214 -1.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0214 -1.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2948 -0.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2948 -0.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6930 -0.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6930 -0.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4341 -2.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4341 -2.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0923 1.5782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0923 1.5782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6487 2.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6487 2.7089 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 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 |
| − | 17 8 1 0 0 0 0 | + | 17 8 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 17 1 0 0 0 0 | + | 21 17 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | 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 -0.0080 -0.6215 | + | M SBV 1 34 -0.0080 -0.6215 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AADGS0001 | + | ID FL7AADGS0001 |
| − | FORMULA C21H21O10 | + | FORMULA C21H21O10 |
| − | EXACTMASS 433.113471892 | + | EXACTMASS 433.113471892 |
| − | AVERAGEMASS 433.38544 | + | AVERAGEMASS 433.38544 |
| − | SMILES C(O1)(Oc(c(c(c4)cc(c(O)c4)OC)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c(c(c4)cc(c(O)c4)OC)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-3.1352 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1352 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4341 -1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7331 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7331 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4341 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0320 -1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3309 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3309 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0320 -0.2807 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.3699 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0843 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7988 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7988 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0843 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3699 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4429 -1.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8360 -0.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3759 0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7696 -1.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2638 -2.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2366 -1.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3108 -2.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8360 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7484 -1.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0214 -1.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2948 -0.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6930 -0.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4341 -2.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0923 1.5782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6487 2.7089 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
17 8 1 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 17 1 0 0 0 0
3 29 1 0 0 0 0
30 31 1 0 0 0 0
15 30 1 0 0 0 0
M CHG 1 10 1
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 -0.0080 -0.6215
S SKP 5
ID FL7AADGS0001
FORMULA C21H21O10
EXACTMASS 433.113471892
AVERAGEMASS 433.38544
SMILES C(O1)(Oc(c(c(c4)cc(c(O)c4)OC)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O
M END
