Mol:FLIAAANP0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4862 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4862 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4862 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4862 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9299 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9299 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3736 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3736 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3736 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3736 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9299 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9299 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1827 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1827 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7390 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7390 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7390 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7390 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1827 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1827 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2951 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2951 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2951 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2951 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8899 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8899 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4847 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4847 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4847 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4847 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8899 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8899 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1827 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1827 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9299 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9299 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0425 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0425 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5988 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5988 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5988 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5988 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0425 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0425 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7427 0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7427 0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0789 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0789 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0789 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0789 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9299 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9299 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3738 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3738 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3738 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3738 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1823 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1823 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9299 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9299 2.1206 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0005 | + | ID FLIAAANP0005 |
| − | KNApSAcK_ID C00009514 | + | KNApSAcK_ID C00009514 |
| − | NAME Warangalone;Scandenone | + | NAME Warangalone;Scandenone |
| − | CAS_RN 4449-55-2 | + | CAS_RN 4449-55-2 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES c(c43)(O)c(c(c(CC=C(C)C)c3OC(C=C4)(C)C)2)C(C(=CO2)c(c1)ccc(c1)O)=O | + | SMILES c(c43)(O)c(c(c(CC=C(C)C)c3OC(C=C4)(C)C)2)C(C(=CO2)c(c1)ccc(c1)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.4862 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4862 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9299 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3736 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3736 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9299 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7390 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7390 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2951 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2951 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8899 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4847 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4847 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8899 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9299 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0425 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5988 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5988 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0425 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7427 0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0789 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0789 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9299 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3738 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3738 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1823 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9299 2.1206 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
8 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 2 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
14 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FLIAAANP0005
KNApSAcK_ID C00009514
NAME Warangalone;Scandenone
CAS_RN 4449-55-2
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES c(c43)(O)c(c(c(CC=C(C)C)c3OC(C=C4)(C)C)2)C(C(=CO2)c(c1)ccc(c1)O)=O
M END
