Mol:FL1CHYNS0009
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 |
| − | -2.4500 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4500 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4500 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4500 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7355 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7355 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0210 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0210 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0210 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0210 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7355 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7355 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3065 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3065 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3065 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3065 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4079 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4079 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1224 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1224 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8369 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8369 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5513 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5513 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2658 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2658 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2658 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2658 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5513 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5513 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8369 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8369 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1224 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1224 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8789 1.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8789 1.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5433 1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5433 1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7229 1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7229 1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3065 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3065 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4079 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4079 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1644 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1644 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8789 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8789 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7355 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7355 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4500 -1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4500 -1.8904 0.0000 C 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 10 17 1 0 0 0 0 | + | 10 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNS0009 | + | ID FL1CHYNS0009 |
| − | KNApSAcK_ID C00014438 | + | KNApSAcK_ID C00014438 |
| − | NAME Ponganone X;3,4-Methylenedioxy-2',4',6'-trimethoxy-beta-hydroxychalcone | + | NAME Ponganone X;3,4-Methylenedioxy-2',4',6'-trimethoxy-beta-hydroxychalcone |
| − | CAS_RN 142608-96-6 | + | CAS_RN 142608-96-6 |
| − | FORMULA C19H18O7 | + | FORMULA C19H18O7 |
| − | EXACTMASS 358.10525293 | + | EXACTMASS 358.10525293 |
| − | AVERAGEMASS 358.34202000000005 | + | AVERAGEMASS 358.34202000000005 |
| − | SMILES c(c32)(OCO3)ccc(c2)C(O)=CC(c(c(OC)1)c(OC)cc(OC)c1)=O | + | SMILES c(c32)(OCO3)ccc(c2)C(O)=CC(c(c(OC)1)c(OC)cc(OC)c1)=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
-2.4500 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4500 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7355 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0210 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0210 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7355 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3065 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3065 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4079 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1224 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8369 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5513 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2658 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2658 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5513 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8369 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1224 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8789 1.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5433 1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7229 1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3065 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4079 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1644 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8789 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7355 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4500 -1.8904 0.0000 C 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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
10 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
S SKP 8
ID FL1CHYNS0009
KNApSAcK_ID C00014438
NAME Ponganone X;3,4-Methylenedioxy-2',4',6'-trimethoxy-beta-hydroxychalcone
CAS_RN 142608-96-6
FORMULA C19H18O7
EXACTMASS 358.10525293
AVERAGEMASS 358.34202000000005
SMILES c(c32)(OCO3)ccc(c2)C(O)=CC(c(c(OC)1)c(OC)cc(OC)c1)=O
M END
