Mol:FL4DE9NF0001
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8271 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8271 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1070 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1070 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8359 -0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8359 -0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1230 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1230 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4075 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4075 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3962 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3962 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3056 -0.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3056 -0.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0237 -0.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0237 -0.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0305 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0305 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3239 0.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3239 0.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7523 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7523 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7612 1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7612 1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4804 2.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4804 2.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1887 1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1887 1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1824 0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1824 0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4624 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4624 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2907 -1.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2907 -1.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7306 -0.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7306 -0.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7306 -1.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7306 -1.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2708 1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2708 1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0921 1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0921 1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4359 0.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4359 0.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1230 -1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1230 -1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6429 -2.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6429 -2.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4441 -0.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4441 -0.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1887 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1887 -0.3115 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 4 23 1 0 0 0 0 | + | 4 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 FL4DE9NF0001 | + | ID FL4DE9NF0001 |
| − | KNApSAcK_ID C00014391 | + | KNApSAcK_ID C00014391 |
| − | NAME 3,5,6-Trimethoxy-[2'',3'':7,8]furanoflavanone | + | NAME 3,5,6-Trimethoxy-[2'',3'':7,8]furanoflavanone |
| − | CAS_RN 179003-89-5 | + | CAS_RN 179003-89-5 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES O(C)c(c34)c(OC)c(c(c(cco4)3)2)C(C(C(O2)c(c1)cccc1)OC)=O | + | SMILES O(C)c(c34)c(OC)c(c(c(cco4)3)2)C(C(C(O2)c(c1)cccc1)OC)=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 29 0 0 0 0 0 0 0 0999 V2000
-1.8271 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1070 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8359 -0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1230 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4075 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3962 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3056 -0.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0237 -0.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0305 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3239 0.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7523 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7612 1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4804 2.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1887 1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1824 0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4624 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2907 -1.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7306 -0.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7306 -1.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2708 1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0921 1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4359 0.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1230 -1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6429 -2.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4441 -0.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1887 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
8 18 1 1 0 0 0
18 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
4 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 FL4DE9NF0001
KNApSAcK_ID C00014391
NAME 3,5,6-Trimethoxy-[2'',3'':7,8]furanoflavanone
CAS_RN 179003-89-5
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES O(C)c(c34)c(OC)c(c(c(cco4)3)2)C(C(C(O2)c(c1)cccc1)OC)=O
M END
