Mol:FL1CHYNS0008
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 |
| − | -2.8579 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 0.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -1.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -1.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -1.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -1.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4710 0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4710 0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1354 1.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1354 1.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3149 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3149 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1354 1.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1354 1.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4710 0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4710 0.9304 0.0000 O 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 10 17 1 0 0 0 0 | + | 10 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 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 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 1 1 0 0 0 0 | + | 23 1 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNS0008 | + | ID FL1CHYNS0008 |
| − | KNApSAcK_ID C00014437 | + | KNApSAcK_ID C00014437 |
| − | NAME Galiposin;1,3-Bis(1,3-benzodioxol-5-yl)-3-hydroxy-2-propen-1-one | + | NAME Galiposin;1,3-Bis(1,3-benzodioxol-5-yl)-3-hydroxy-2-propen-1-one |
| − | CAS_RN 204397-06-8 | + | CAS_RN 204397-06-8 |
| − | FORMULA C17H12O6 | + | FORMULA C17H12O6 |
| − | EXACTMASS 312.063388116 | + | EXACTMASS 312.063388116 |
| − | AVERAGEMASS 312.27358 | + | AVERAGEMASS 312.27358 |
| − | SMILES OC(=CC(=O)c(c3)cc(O4)c(OC4)c3)c(c1)cc(O2)c(OC2)c1 | + | SMILES OC(=CC(=O)c(c3)cc(O4)c(OC4)c3)c(c1)cc(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/
23 26 0 0 0 0 0 0 0 0999 V2000
-2.8579 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4710 0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1354 1.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1354 1.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4710 0.9304 0.0000 O 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
4 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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
10 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 1 1 0 0 0 0
S SKP 8
ID FL1CHYNS0008
KNApSAcK_ID C00014437
NAME Galiposin;1,3-Bis(1,3-benzodioxol-5-yl)-3-hydroxy-2-propen-1-one
CAS_RN 204397-06-8
FORMULA C17H12O6
EXACTMASS 312.063388116
AVERAGEMASS 312.27358
SMILES OC(=CC(=O)c(c3)cc(O4)c(OC4)c3)c(c1)cc(O2)c(OC2)c1
M END
