Mol:FL3F19NF0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.6788 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6788 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6788 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6788 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1225 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1225 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5662 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5662 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5662 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5662 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1225 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1225 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0099 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0099 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5464 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5464 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5464 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5464 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0099 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0099 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0099 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0099 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1025 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1025 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6694 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2364 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2364 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2364 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2364 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6694 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1025 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1025 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2898 -0.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2898 -0.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6673 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6673 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2898 -1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2898 -1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9529 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9529 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6673 1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6673 1.2593 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 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 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 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 SBV 1 24 -6.9600 8.2887 | + | M SBV 1 24 -6.9600 8.2887 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F19NF0001 | + | ID FL3F19NF0001 |
| − | KNApSAcK_ID C00004049 | + | KNApSAcK_ID C00004049 |
| − | NAME Pongone;7-(3-Methoxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one | + | NAME Pongone;7-(3-Methoxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one |
| − | CAS_RN 114687-96-6 | + | CAS_RN 114687-96-6 |
| − | FORMULA C18H12O4 | + | FORMULA C18H12O4 |
| − | EXACTMASS 292.073558872 | + | EXACTMASS 292.073558872 |
| − | AVERAGEMASS 292.28548 | + | AVERAGEMASS 292.28548 |
| − | SMILES C(c13)(=O)C=C(c(c4)cc(OC)cc4)Oc1cc(c2c3)occ2 | + | SMILES C(c13)(=O)C=C(c(c4)cc(OC)cc4)Oc1cc(c2c3)occ2 |
M END | M END | ||
| − | |||
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
-1.6788 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6788 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1225 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5662 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5662 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1225 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5464 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5464 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1025 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2364 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2364 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1025 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2898 -0.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6673 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2898 -1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9529 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6673 1.2593 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 2 1 0 0 0 0
16 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 SBV 1 24 -6.9600 8.2887
S SKP 8
ID FL3F19NF0001
KNApSAcK_ID C00004049
NAME Pongone;7-(3-Methoxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one
CAS_RN 114687-96-6
FORMULA C18H12O4
EXACTMASS 292.073558872
AVERAGEMASS 292.28548
SMILES C(c13)(=O)C=C(c(c4)cc(OC)cc4)Oc1cc(c2c3)occ2
M END
