Mol:FL2FA9NP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4404 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4404 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4404 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4404 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8841 -0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8841 -0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3278 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3278 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3278 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3278 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8841 0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8841 0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2286 -0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2286 -0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7849 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7849 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7849 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7849 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2286 0.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2286 0.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3409 0.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3409 0.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9079 0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9079 0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4749 0.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4749 0.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4749 1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4749 1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9079 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9079 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3409 1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3409 1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2286 -1.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2286 -1.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8841 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8841 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4404 1.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4404 1.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9967 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9967 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9967 0.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9967 0.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2628 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2628 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4749 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4749 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3205 -1.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3205 -1.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6060 -1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6060 -1.4806 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 27 -5.8533 4.0823 | + | M SBV 1 27 -5.8533 4.0823 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NP0001 | + | ID FL2FA9NP0001 |
| − | KNApSAcK_ID C00008173 | + | KNApSAcK_ID C00008173 |
| − | NAME Obovatin methyl ether | + | NAME Obovatin methyl ether |
| − | CAS_RN 69640-78-4 | + | CAS_RN 69640-78-4 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES COc(c42)cc(O1)c(c2OC(CC4=O)c(c3)cccc3)C=CC(C)(C)1 | + | SMILES COc(c42)cc(O1)c(c2OC(CC4=O)c(c3)cccc3)C=CC(C)(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.4404 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4404 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8841 -0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3278 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3278 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8841 0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2286 -0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7849 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7849 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2286 0.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3409 0.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9079 0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4749 0.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4749 1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9079 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3409 1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2286 -1.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8841 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4404 1.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9967 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9967 0.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2628 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4749 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3205 -1.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6060 -1.4806 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
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SBV 1 27 -5.8533 4.0823
S SKP 8
ID FL2FA9NP0001
KNApSAcK_ID C00008173
NAME Obovatin methyl ether
CAS_RN 69640-78-4
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES COc(c42)cc(O1)c(c2OC(CC4=O)c(c3)cccc3)C=CC(C)(C)1
M END
