Mol:FLIAAANP0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4862 1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4862 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4862 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9299 0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9299 0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3736 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3736 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3736 1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3736 1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9299 2.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9299 2.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1827 0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1827 0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7390 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7390 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7390 1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7390 1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1827 2.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1827 2.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2951 0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2951 0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2951 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2951 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8899 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8899 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4847 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4847 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4847 0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4847 0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8899 1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8899 1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1827 0.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1827 0.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9299 0.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9299 0.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0425 2.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0425 2.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5988 1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5988 1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5988 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5988 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0425 0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0425 0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7427 2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7427 2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0789 1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0789 1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8899 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8899 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4841 -1.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4841 -1.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4841 -1.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4841 -1.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0783 -2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0783 -2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8899 -2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8899 -2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0789 -0.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0789 -0.2357 0.0000 O 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 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0004 | + | ID FLIAAANP0004 |
| − | KNApSAcK_ID C00009513 | + | KNApSAcK_ID C00009513 |
| − | NAME Chandalone | + | NAME Chandalone |
| − | CAS_RN 22263-55-4 | + | CAS_RN 22263-55-4 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES c(c12)c(O4)c(C=CC4(C)C)c(c(C(=O)C(c(c3)cc(c(c3)O)CC=C(C)C)=CO2)1)O | + | SMILES c(c12)c(O4)c(C=CC4(C)C)c(c(C(=O)C(c(c3)cc(c(c3)O)CC=C(C)C)=CO2)1)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 1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4862 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9299 0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3736 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3736 1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9299 2.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7390 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7390 1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 2.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2951 0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2951 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8899 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4847 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4847 0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8899 1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 0.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9299 0.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0425 2.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5988 1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5988 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0425 0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7427 2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0789 1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8899 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4841 -1.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4841 -1.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0783 -2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8899 -2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0789 -0.2357 0.0000 O 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
13 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
14 30 1 0 0 0 0
S SKP 8
ID FLIAAANP0004
KNApSAcK_ID C00009513
NAME Chandalone
CAS_RN 22263-55-4
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES c(c12)c(O4)c(C=CC4(C)C)c(c(C(=O)C(c(c3)cc(c(c3)O)CC=C(C)C)=CO2)1)O
M END
