Mol:FLIA3AGS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.3453 0.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3453 0.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6306 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6306 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9159 0.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9159 0.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2014 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2014 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2014 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2014 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4604 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4604 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2805 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2805 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2805 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2805 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4604 0.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4604 0.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6303 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6303 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9159 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9159 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4555 -2.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4555 -2.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0211 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0211 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0211 -2.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0211 -2.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7294 -2.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7294 -2.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4378 -2.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4378 -2.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4378 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4378 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7294 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7294 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2212 2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2212 2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1295 2.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1295 2.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4503 2.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4503 2.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9066 1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9066 1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0760 2.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0760 2.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7601 2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7601 2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8199 3.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8199 3.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6631 2.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6631 2.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3365 1.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3365 1.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9262 1.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9262 1.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5505 -2.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5505 -2.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6631 -3.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6631 -3.4283 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 7 1 0 0 0 0 | + | 6 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 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 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 |
| − | 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 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 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 28 3 1 0 0 0 0 | + | 28 3 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 33 -1.1127 0.6422 | + | M SBV 1 33 -1.1127 0.6422 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FLIA3AGS0005 | + | ID FLIA3AGS0005 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES c(c4)c(ccc(OC)4)C(C(=O)1)=COc(c2OC(O3)C(O)C(C(O)C3)O)c1ccc(O)2 | + | SMILES c(c4)c(ccc(OC)4)C(C(=O)1)=COc(c2OC(O3)C(O)C(C(O)C3)O)c1ccc(O)2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-3.3453 0.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9159 0.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2014 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2014 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4604 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2805 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2805 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4604 0.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6303 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9159 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4555 -2.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0211 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0211 -2.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7294 -2.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4378 -2.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4378 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7294 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2212 2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1295 2.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4503 2.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9066 1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0760 2.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7601 2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8199 3.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6631 2.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3365 1.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9262 1.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5505 -2.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6631 -3.4283 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 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 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
28 3 1 0 0 0 0
29 30 1 0 0 0 0
16 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -1.1127 0.6422
S SKP 5
ID FLIA3AGS0005
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES c(c4)c(ccc(OC)4)C(C(=O)1)=COc(c2OC(O3)C(O)C(C(O)C3)O)c1ccc(O)2
M END
