Mol:FL1DHYNF0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1199 -1.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1199 -1.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4054 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4054 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4054 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4054 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1199 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1199 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8343 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8343 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8343 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8343 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5485 -1.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5485 -1.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2642 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2642 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2642 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2642 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1199 0.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1199 0.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7931 1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7931 1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7055 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7055 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0196 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0196 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7055 0.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7055 0.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6771 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6771 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6771 0.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6771 0.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1762 1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1762 1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4054 -0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4054 -0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4054 -1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4054 -1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1199 -1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1199 -1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1199 0.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1199 0.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8343 -1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8343 -1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8343 -0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8343 -0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5485 0.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5485 0.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2642 -0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2642 -0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2642 -1.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2642 -1.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 7 1 0 0 0 0 | + | 6 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 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 12 14 2 0 0 0 0 | + | 12 14 2 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 22 2 0 0 0 0 | + | 20 22 2 0 0 0 0 |
| − | 23 21 2 0 0 0 0 | + | 23 21 2 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DHYNF0002 | + | ID FL1DHYNF0002 |
| − | KNApSAcK_ID C00014623 | + | KNApSAcK_ID C00014623 |
| − | NAME Ponganone IX;3-(1,3-Benzodioxol-5-yl)-3-methoxy-1-(4-methoxy-5-benzofuranyl)-1-propanone | + | NAME Ponganone IX;3-(1,3-Benzodioxol-5-yl)-3-methoxy-1-(4-methoxy-5-benzofuranyl)-1-propanone |
| − | CAS_RN 142608-95-5 | + | CAS_RN 142608-95-5 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES O(C1)c(c2)c(ccc2C(CC(c(c3)c(c(c4)c(oc4)c3)OC)=O)OC)O1 | + | SMILES O(C1)c(c2)c(ccc2C(CC(c(c3)c(c(c4)c(oc4)c3)OC)=O)OC)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.1199 -1.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4054 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4054 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1199 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8343 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8343 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5485 -1.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2642 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2642 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1199 0.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7931 1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7055 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0196 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7055 0.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6771 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6771 0.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1762 1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 -0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 -1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1199 -1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1199 0.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5485 0.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2642 -0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2642 -1.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 1 1 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
5 9 1 0 0 0 0
4 10 1 0 0 0 0
10 11 1 0 0 0 0
3 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 22 2 0 0 0 0
23 21 2 0 0 0 0
21 18 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
22 26 1 0 0 0 0
S SKP 8
ID FL1DHYNF0002
KNApSAcK_ID C00014623
NAME Ponganone IX;3-(1,3-Benzodioxol-5-yl)-3-methoxy-1-(4-methoxy-5-benzofuranyl)-1-propanone
CAS_RN 142608-95-5
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES O(C1)c(c2)c(ccc2C(CC(c(c3)c(c(c4)c(oc4)c3)OC)=O)OC)O1
M END
