Mol:FL2F1CNI0001
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 |
| − | -1.9630 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -0.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -0.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9628 0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9628 0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9628 1.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9628 1.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5189 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5189 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2033 1.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2033 1.7336 0.0000 C 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 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 0 0 0 0 | + | 9 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 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 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1CNI0001 | + | ID FL2F1CNI0001 |
| − | KNApSAcK_ID C00008285 | + | KNApSAcK_ID C00008285 |
| − | NAME Ovaliflavanone C | + | NAME Ovaliflavanone C |
| − | CAS_RN 75680-31-8 | + | CAS_RN 75680-31-8 |
| − | FORMULA C21H20O5 | + | FORMULA C21H20O5 |
| − | EXACTMASS 352.13107375 | + | EXACTMASS 352.13107375 |
| − | AVERAGEMASS 352.3805 | + | AVERAGEMASS 352.3805 |
| − | SMILES O(C1)c(c2)c(ccc(C(C3)Oc(c(CC=C(C)C)4)c(ccc4O)C(=O)3)2)O1 | + | SMILES O(C1)c(c2)c(ccc(C(C3)Oc(c(CC=C(C)C)4)c(ccc4O)C(=O)3)2)O1 |
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
-1.9630 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -0.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9628 0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9628 1.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5189 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2033 1.7336 0.0000 C 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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
14 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
6 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
20 26 1 0 0 0 0
26 18 1 0 0 0 0
S SKP 8
ID FL2F1CNI0001
KNApSAcK_ID C00008285
NAME Ovaliflavanone C
CAS_RN 75680-31-8
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES O(C1)c(c2)c(ccc(C(C3)Oc(c(CC=C(C)C)4)c(ccc4O)C(=O)3)2)O1
M END
