Mol:FL5FF9NI0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8472 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8472 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8472 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8472 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2909 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2909 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2654 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2654 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2654 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2654 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2909 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2909 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8217 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8217 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3780 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3780 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3780 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3780 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8217 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8217 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8217 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8217 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9341 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9341 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5011 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5011 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0680 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0680 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0680 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0680 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5011 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5011 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9341 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9341 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4041 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4041 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9578 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9578 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2909 1.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2909 1.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4033 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4033 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9582 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9582 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5131 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5131 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5131 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5131 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0680 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0680 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2909 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2909 -1.4544 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 |
| − | 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FF9NI0005 | + | ID FL5FF9NI0005 |
| − | KNApSAcK_ID C00004992 | + | KNApSAcK_ID C00004992 |
| − | NAME Platanetin | + | NAME Platanetin |
| − | CAS_RN 40451-44-3 | + | CAS_RN 40451-44-3 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES c(O2)(c(C(C(=C2c(c3)cccc3)O)=O)1)c(c(c(CC=C(C)C)c1O)O)O | + | SMILES c(O2)(c(C(C(=C2c(c3)cccc3)O)=O)1)c(c(c(CC=C(C)C)c1O)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-0.8472 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8472 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2909 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2654 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2654 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2909 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8217 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3780 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3780 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8217 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8217 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9341 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0680 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0680 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9341 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4041 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9578 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2909 1.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4033 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9582 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5131 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5131 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0680 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2909 -1.4544 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
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
18 1 1 0 0 0 0
8 19 1 0 0 0 0
6 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
3 26 1 0 0 0 0
S SKP 8
ID FL5FF9NI0005
KNApSAcK_ID C00004992
NAME Platanetin
CAS_RN 40451-44-3
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES c(O2)(c(C(C(=C2c(c3)cccc3)O)=O)1)c(c(c(CC=C(C)C)c1O)O)O
M END
