Mol:FL2FE8NS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8688 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8688 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8688 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8688 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1543 -1.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1543 -1.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4399 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4399 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4399 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4399 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1543 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1543 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2746 -1.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2746 -1.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9891 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9891 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9891 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9891 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2746 0.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2746 0.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7476 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7476 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4621 -0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4621 -0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1765 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1765 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1765 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1765 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4621 1.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4621 1.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7476 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7476 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2746 -2.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2746 -2.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1543 -2.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1543 -2.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5299 0.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5299 0.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4621 -0.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4621 -0.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4621 2.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4621 2.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1765 -0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1765 -0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4660 -1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4660 -1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0538 -1.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0538 -1.1106 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FE8NS0006 | + | ID FL2FE8NS0006 |
| − | KNApSAcK_ID C00014133 | + | KNApSAcK_ID C00014133 |
| − | NAME Dioclein;5,2',5'-Trihydroxy-6,7-dimethoxyflavanone | + | NAME Dioclein;5,2',5'-Trihydroxy-6,7-dimethoxyflavanone |
| − | CAS_RN 161748-44-3 | + | CAS_RN 161748-44-3 |
| − | FORMULA C17H16O7 | + | FORMULA C17H16O7 |
| − | EXACTMASS 332.089602866 | + | EXACTMASS 332.089602866 |
| − | AVERAGEMASS 332.30474 | + | AVERAGEMASS 332.30474 |
| − | SMILES COc(c1)c(OC)c(O)c(C(=O)3)c1OC(C3)c(c2)c(O)ccc(O)2 | + | SMILES COc(c1)c(OC)c(O)c(C(=O)3)c1OC(C3)c(c2)c(O)ccc(O)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.8688 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8688 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1543 -1.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4399 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4399 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1543 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2746 -1.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9891 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9891 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2746 0.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7476 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4621 -0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1765 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1765 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4621 1.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7476 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2746 -2.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1543 -2.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5299 0.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4621 -0.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4621 2.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1765 -0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4660 -1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0538 -1.1106 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
12 20 1 0 0 0 0
15 21 1 0 0 0 0
19 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 8
ID FL2FE8NS0006
KNApSAcK_ID C00014133
NAME Dioclein;5,2',5'-Trihydroxy-6,7-dimethoxyflavanone
CAS_RN 161748-44-3
FORMULA C17H16O7
EXACTMASS 332.089602866
AVERAGEMASS 332.30474
SMILES COc(c1)c(OC)c(O)c(C(=O)3)c1OC(C3)c(c2)c(O)ccc(O)2
M END
