Mol:FLIA3ANS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2228 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2228 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2228 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2228 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6665 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6665 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1102 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1102 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1102 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1102 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6665 0.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6665 0.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5539 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5539 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0024 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0024 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0024 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0024 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5539 0.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5539 0.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5585 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5585 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5585 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5585 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1533 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1533 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7481 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7481 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7481 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7481 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1533 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1533 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5480 -1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5480 -1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8000 1.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8000 1.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4389 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4389 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7001 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7001 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6141 -1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6141 -1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4802 -2.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4802 -2.0241 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 1.9857 -1.2303 | + | M SVB 1 24 1.9857 -1.2303 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA3ANS0003 | + | ID FLIA3ANS0003 |
| − | KNApSAcK_ID C00009820 | + | KNApSAcK_ID C00009820 |
| − | NAME Maximaisoflavone H;4'-Methoxy-7,8-methylenedioxyisoflavone | + | NAME Maximaisoflavone H;4'-Methoxy-7,8-methylenedioxyisoflavone |
| − | CAS_RN 97165-42-9 | + | CAS_RN 97165-42-9 |
| − | FORMULA C17H12O5 | + | FORMULA C17H12O5 |
| − | EXACTMASS 296.068473494 | + | EXACTMASS 296.068473494 |
| − | AVERAGEMASS 296.27418 | + | AVERAGEMASS 296.27418 |
| − | SMILES COc(c4)ccc(c4)C(=C3)C(=O)c(c1)c(O3)c(O2)c(OC2)c1 | + | SMILES COc(c4)ccc(c4)C(=C3)C(=O)c(c1)c(O3)c(O2)c(OC2)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/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.2228 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2228 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6665 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1102 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1102 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6665 0.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5539 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0024 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0024 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5539 0.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5585 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5585 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1533 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7481 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7481 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1533 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5480 -1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8000 1.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4389 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7001 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6141 -1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4802 -2.0241 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 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 11 2 0 0 0 0
7 17 2 0 0 0 0
1 2 1 0 0 0 0
6 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 1.9857 -1.2303
S SKP 8
ID FLIA3ANS0003
KNApSAcK_ID C00009820
NAME Maximaisoflavone H;4'-Methoxy-7,8-methylenedioxyisoflavone
CAS_RN 97165-42-9
FORMULA C17H12O5
EXACTMASS 296.068473494
AVERAGEMASS 296.27418
SMILES COc(c4)ccc(c4)C(=C3)C(=O)c(c1)c(O3)c(O2)c(OC2)c1
M END
