Mol:FL7AAIGO0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1620 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1620 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1620 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1620 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4475 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4475 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7331 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7331 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7331 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7331 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4475 0.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4475 0.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0186 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0186 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3041 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3041 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3041 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3041 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0186 0.5134 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.0186 0.5134 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4101 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4101 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1383 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1383 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8665 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8665 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8665 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8665 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1383 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1383 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4101 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4101 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8762 0.5133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8762 0.5133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6612 1.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6612 1.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4475 -1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4475 -1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5051 -1.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5051 -1.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2502 -2.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2502 -2.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9378 -2.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9378 -2.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7196 -2.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7196 -2.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9378 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9378 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2502 -1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2502 -1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4684 -1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4684 -1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4676 -1.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4676 -1.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2510 -3.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2510 -3.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6794 -3.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6794 -3.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3174 -2.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3174 -2.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5919 0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5919 0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8762 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8762 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1383 2.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1383 2.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7051 3.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7051 3.6497 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 15 33 1 0 0 0 0 | + | 15 33 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -0.7254 0.4188 | + | M SBV 1 35 -0.7254 0.4188 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 37 0.0000 -0.7228 | + | M SBV 2 37 0.0000 -0.7228 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAIGS0003 | + | ID FL7AAIGS0003 |
| − | FORMULA C23H25O11 | + | FORMULA C23H25O11 |
| − | EXACTMASS 477.139686642 | + | EXACTMASS 477.139686642 |
| − | AVERAGEMASS 477.43800000000005 | + | AVERAGEMASS 477.43800000000005 |
| − | SMILES O(C(O4)C(C(C(O)C4C)O)O)c(c1)c(c(c3)cc(c(c(OC)3)O)OC)[o+1]c(c2)c(c(O)cc(O)2)1 | + | SMILES O(C(O4)C(C(C(O)C4C)O)O)c(c1)c(c(c3)cc(c(c(OC)3)O)OC)[o+1]c(c2)c(c(O)cc(O)2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-3.1620 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1620 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4475 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7331 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7331 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4475 0.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3041 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3041 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 0.5134 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.4101 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1383 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8665 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8665 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1383 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4101 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8762 0.5133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6612 1.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4475 -1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5051 -1.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2502 -2.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9378 -2.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7196 -2.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9378 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2502 -1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4684 -1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4676 -1.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2510 -3.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6794 -3.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3174 -2.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5919 0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8762 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1383 2.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7051 3.6497 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
25 20 1 0 0 0 0
31 32 1 0 0 0 0
13 31 1 0 0 0 0
33 34 1 0 0 0 0
15 33 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -0.7254 0.4188
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 OCH3
M SBV 2 37 0.0000 -0.7228
S SKP 5
ID FL7AAIGS0003
FORMULA C23H25O11
EXACTMASS 477.139686642
AVERAGEMASS 477.43800000000005
SMILES O(C(O4)C(C(C(O)C4C)O)O)c(c1)c(c(c3)cc(c(c(OC)3)O)OC)[o+1]c(c2)c(c(O)cc(O)2)1
M END
