Mol:FL3FCCNS0002
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 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 |
| − | -3.1360 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1360 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7071 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7071 -1.8562 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 |
| − | -3.8493 0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8493 0.2069 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 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 |
| − | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCCNS0002 | + | ID FL3FCCNS0002 |
| − | KNApSAcK_ID C00013397 | + | KNApSAcK_ID C00013397 |
| − | NAME 5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one | + | NAME 5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 109602-69-9 | + | CAS_RN 109602-69-9 |
| − | FORMULA C17H12O6 | + | FORMULA C17H12O6 |
| − | EXACTMASS 312.063388116 | + | EXACTMASS 312.063388116 |
| − | AVERAGEMASS 312.27358 | + | AVERAGEMASS 312.27358 |
| − | SMILES COc(c4)cc(O1)c(c(O)4)C(=O)C=C1c(c2)cc(O3)c(OC3)c2 | + | SMILES COc(c4)cc(O1)c(c(O)4)C(=O)C=C1c(c2)cc(O3)c(OC3)c2 |
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 26 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
-3.1360 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7071 -1.8562 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
-3.8493 0.2069 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
4 18 1 0 0 0 0
6 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 14 1 0 0 0 0
18 23 1 0 0 0 0
S SKP 8
ID FL3FCCNS0002
KNApSAcK_ID C00013397
NAME 5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 109602-69-9
FORMULA C17H12O6
EXACTMASS 312.063388116
AVERAGEMASS 312.27358
SMILES COc(c4)cc(O1)c(c(O)4)C(=O)C=C1c(c2)cc(O3)c(OC3)c2
M END
