Mol:FL2FA8NI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2556 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2556 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7347 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7347 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2138 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2138 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2138 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2138 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7347 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7347 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2556 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2556 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3070 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3070 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8279 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8279 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8279 -1.1514 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.8279 -1.1514 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3070 -0.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3070 -0.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3483 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3483 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3070 -2.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3070 -2.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8827 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8827 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4170 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4170 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4170 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4170 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8827 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8827 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3483 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3483 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7347 -2.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7347 -2.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7347 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7347 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2798 0.6836 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.2798 0.6836 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.2798 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2798 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8490 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8490 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7542 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7542 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2281 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2281 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7542 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7542 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8148 0.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8148 0.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8827 -1.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8827 -1.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8490 2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8490 2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4170 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4170 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2810 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2810 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8029 -1.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8029 -1.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9765 -0.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9765 -0.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 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 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 17 26 1 0 0 0 0 | + | 17 26 1 0 0 0 0 |
| − | 13 27 1 0 0 0 0 | + | 13 27 1 0 0 0 0 |
| − | 22 28 2 0 0 0 0 | + | 22 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 -1.6128 -0.5327 | + | M SVB 1 33 -1.6128 -0.5327 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8NI0003 | + | ID FL2FA8NI0003 |
| − | KNApSAcK_ID C00008520 | + | KNApSAcK_ID C00008520 |
| − | NAME Exiguaflavanone B | + | NAME Exiguaflavanone B |
| − | CAS_RN 142608-99-9 | + | CAS_RN 142608-99-9 |
| − | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
| − | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
| − | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
| − | SMILES c(c3)(c(c(cc3)O)C(C2)Oc(c1CC(C(C)=C)CC=C(C)C)c(C(=O)2)c(cc1OC)O)O | + | SMILES c(c3)(c(c(cc3)O)C(C2)Oc(c1CC(C(C)=C)CC=C(C)C)c(C(=O)2)c(cc1OC)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.2556 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7347 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2138 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2138 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7347 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2556 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3070 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8279 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8279 -1.1514 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3070 -0.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3483 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3070 -2.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8827 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4170 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4170 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8827 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3483 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7347 -2.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7347 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2798 0.6836 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.2798 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8490 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7542 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2281 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7542 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8148 0.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8827 -1.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8490 2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4170 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2810 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8029 -1.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9765 -0.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
20 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
17 26 1 0 0 0 0
13 27 1 0 0 0 0
22 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
6 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -1.6128 -0.5327
S SKP 8
ID FL2FA8NI0003
KNApSAcK_ID C00008520
NAME Exiguaflavanone B
CAS_RN 142608-99-9
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES c(c3)(c(c(cc3)O)C(C2)Oc(c1CC(C(C)=C)CC=C(C)C)c(C(=O)2)c(cc1OC)O)O
M END
