Mol:FLIA1CNS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0313 0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0313 0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0313 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0313 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4750 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4750 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9187 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9187 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9187 0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9187 0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4750 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4750 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3624 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3624 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1939 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1939 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1939 0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1939 0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3624 1.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3624 1.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7500 0.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7500 0.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7500 -0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7500 -0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3448 -0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3448 -0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9396 -0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9396 -0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9396 0.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9396 0.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3448 0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3448 0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3624 -0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3624 -0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2447 1.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2447 1.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0571 1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0571 1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9396 -0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9396 -0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9396 -0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9396 -0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9274 -1.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9274 -1.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6419 -1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6419 -1.5807 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 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 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 24 0.9274 -1.1682 | + | M SVB 3 24 0.9274 -1.1682 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 2.1766 -0.8595 | + | M SVB 2 22 2.1766 -0.8595 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -2.0941 1.3672 | + | M SVB 1 20 -2.0941 1.3672 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1CNS0008 | + | ID FLIA1CNS0008 |
| − | KNApSAcK_ID C00009405 | + | KNApSAcK_ID C00009405 |
| − | NAME Cabreuvin;7,3',4'-Trimethoxyisoflavone | + | NAME Cabreuvin;7,3',4'-Trimethoxyisoflavone |
| − | CAS_RN 1621-61-0 | + | CAS_RN 1621-61-0 |
| − | FORMULA C18H16O5 | + | FORMULA C18H16O5 |
| − | EXACTMASS 312.099773622 | + | EXACTMASS 312.099773622 |
| − | AVERAGEMASS 312.31664 | + | AVERAGEMASS 312.31664 |
| − | SMILES c(c21)(OC=C(c(c3)cc(OC)c(OC)c3)C2=O)cc(OC)cc1 | + | SMILES c(c21)(OC=C(c(c3)cc(OC)c(OC)c3)C2=O)cc(OC)cc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.0313 0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0313 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4750 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9187 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9187 0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4750 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3624 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1939 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1939 0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3624 1.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 0.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3448 -0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9396 -0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9396 0.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3448 0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3624 -0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2447 1.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0571 1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9396 -0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9396 -0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9274 -1.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6419 -1.5807 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 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 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 0.9274 -1.1682
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 2.1766 -0.8595
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.0941 1.3672
S SKP 8
ID FLIA1CNS0008
KNApSAcK_ID C00009405
NAME Cabreuvin;7,3',4'-Trimethoxyisoflavone
CAS_RN 1621-61-0
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES c(c21)(OC=C(c(c3)cc(OC)c(OC)c3)C2=O)cc(OC)cc1
M END
