Mol:FL4DAANI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0427 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0427 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4781 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4781 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9990 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9990 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9990 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9990 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4781 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4781 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0427 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0427 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5199 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5199 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0408 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0408 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0408 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0408 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5199 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5199 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5199 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5199 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4781 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4781 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6249 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6249 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1468 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1468 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6687 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6687 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6687 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6687 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1468 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1468 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6249 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6249 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5768 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5768 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5636 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5636 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5631 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5631 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0835 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0835 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6027 -0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6027 -0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1219 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1219 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6027 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6027 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6399 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6399 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1567 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1567 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6735 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6735 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1903 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1903 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6735 -1.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6735 -1.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1903 1.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1903 1.3719 0.0000 O 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 9 13 1 6 0 0 0 | + | 9 13 1 6 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAANI0006 | + | ID FL4DAANI0006 |
| − | KNApSAcK_ID C00008647 | + | KNApSAcK_ID C00008647 |
| − | NAME Bonanniol A | + | NAME Bonanniol A |
| − | CAS_RN 96917-35-0 | + | CAS_RN 96917-35-0 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES c(c3)c(ccc3O)C(C(O)2)Oc(c(C2=O)1)cc(c(CC=C(C)CCC=C(C)C)c1O)O | + | SMILES c(c3)c(ccc3O)C(C(O)2)Oc(c(C2=O)1)cc(c(CC=C(C)CCC=C(C)C)c1O)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/
31 33 0 0 0 0 0 0 0 0999 V2000
-0.0427 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4781 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9990 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9990 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4781 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0427 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5199 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0408 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0408 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5199 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5199 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4781 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6249 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1468 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6687 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6687 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1468 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6249 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5768 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5636 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5631 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0835 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1219 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6399 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1567 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6735 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1903 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6735 -1.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1903 1.3719 0.0000 O 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 13 1 6 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
8 19 1 1 0 0 0
6 20 1 0 0 0 0
1 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
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
16 31 1 0 0 0 0
S SKP 8
ID FL4DAANI0006
KNApSAcK_ID C00008647
NAME Bonanniol A
CAS_RN 96917-35-0
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(c3)c(ccc3O)C(C(O)2)Oc(c(C2=O)1)cc(c(CC=C(C)CCC=C(C)C)c1O)O
M END
