Mol:FL2F1ANI0006
From Metabolomics.JP
(Difference between revisions)
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| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1306 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1306 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1306 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1306 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5743 -0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5743 -0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0180 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0180 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0180 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0180 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5743 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5743 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5383 -0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5383 -0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0946 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0946 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0946 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0946 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5383 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5383 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6507 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6507 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2177 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2177 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7846 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7846 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7846 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7846 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2177 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2177 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6507 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6507 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5383 -1.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5383 -1.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7222 0.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7222 0.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3514 1.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3514 1.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6867 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6867 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2416 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2416 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7965 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7965 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7965 -1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7965 -1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3514 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3514 -0.4925 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANI0006 | + | ID FL2F1ANI0006 |
| − | KNApSAcK_ID C00008247 | + | KNApSAcK_ID C00008247 |
| − | NAME Bavachin | + | NAME Bavachin |
| − | CAS_RN 19879-32-4 | + | CAS_RN 19879-32-4 |
| − | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
| − | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
| − | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
| − | SMILES Oc(c1)ccc(C(C3)Oc(c2C(=O)3)cc(O)c(c2)CC=C(C)C)c1 | + | SMILES Oc(c1)ccc(C(C3)Oc(c2C(=O)3)cc(O)c(c2)CC=C(C)C)c1 |
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
-1.1306 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1306 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 -0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0180 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0180 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 -0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6507 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2177 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7846 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7846 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2177 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6507 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 -1.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7222 0.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3514 1.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6867 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2416 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3514 -0.4925 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
18 1 1 0 0 0 0
14 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
S SKP 8
ID FL2F1ANI0006
KNApSAcK_ID C00008247
NAME Bavachin
CAS_RN 19879-32-4
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES Oc(c1)ccc(C(C3)Oc(c2C(=O)3)cc(O)c(c2)CC=C(C)C)c1
M END
