Mol:FL3F9CNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9926 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9926 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9926 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9926 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7071 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7071 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4215 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4215 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4215 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4215 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7071 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7071 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2781 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2781 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4363 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4363 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4363 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4363 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2781 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2781 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1508 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1508 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8653 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8653 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5798 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5798 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5798 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5798 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8653 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8653 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1508 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1508 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2781 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2781 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3644 0.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3644 0.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8493 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8493 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3644 1.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3644 1.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7071 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7071 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4204 1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4204 1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7071 -1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7071 -1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1360 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1360 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8493 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8493 -0.6194 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 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 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 5 24 1 0 0 0 0 | + | 5 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F9CNS0001 | + | ID FL3F9CNS0001 |
| − | KNApSAcK_ID C00013401 | + | KNApSAcK_ID C00013401 |
| − | NAME 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one | + | NAME 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 220841-90-7 | + | CAS_RN 220841-90-7 |
| − | FORMULA C18H14O7 | + | FORMULA C18H14O7 |
| − | EXACTMASS 342.073952802 | + | EXACTMASS 342.073952802 |
| − | AVERAGEMASS 342.29956000000004 | + | AVERAGEMASS 342.29956000000004 |
| − | SMILES c(c41)(OCO4)ccc(C(O2)=CC(c(c3O)c2c(OC)cc3OC)=O)c1 | + | SMILES c(c41)(OCO4)ccc(C(O2)=CC(c(c3O)c2c(OC)cc3OC)=O)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/
25 28 0 0 0 0 0 0 0 0999 V2000
-0.9926 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9926 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7071 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4215 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4215 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7071 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2781 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4363 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4363 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2781 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1508 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8653 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5798 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5798 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8653 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1508 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2781 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3644 0.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8493 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3644 1.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7071 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4204 1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7071 -1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1360 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8493 -0.6194 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
1 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 2 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
7 17 2 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 14 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
6 23 1 0 0 0 0
5 24 1 0 0 0 0
24 25 1 0 0 0 0
S SKP 8
ID FL3F9CNS0001
KNApSAcK_ID C00013401
NAME 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 220841-90-7
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES c(c41)(OCO4)ccc(C(O2)=CC(c(c3O)c2c(OC)cc3OC)=O)c1
M END
