Mol:FL6FWXNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3687 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3687 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3687 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3687 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8124 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8124 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2561 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2561 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2561 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2561 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8124 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8124 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3002 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3002 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8565 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8565 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8565 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8565 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3002 0.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3002 0.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4126 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4126 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9796 -0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9796 -0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5466 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5466 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5466 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5466 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9796 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9796 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4126 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4126 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9459 0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9459 0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5848 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5848 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8460 0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8460 0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9058 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9058 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5939 1.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5939 1.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5466 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5466 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2488 -1.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2488 -1.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5343 -1.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5343 -1.8248 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 2 0 0 0 0 | + | 7 8 2 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 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 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 26 -7.2253 5.2437 | + | M SBV 1 26 -7.2253 5.2437 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6FWXNF0001 | + | ID FL6FWXNF0001 |
| − | KNApSAcK_ID C00008793 | + | KNApSAcK_ID C00008793 |
| − | NAME Hildgardtene | + | NAME Hildgardtene |
| − | CAS_RN 104777-96-0 | + | CAS_RN 104777-96-0 |
| − | FORMULA C21H20O3 | + | FORMULA C21H20O3 |
| − | EXACTMASS 320.141244506 | + | EXACTMASS 320.141244506 |
| − | AVERAGEMASS 320.38169999999997 | + | AVERAGEMASS 320.38169999999997 |
| − | SMILES C(C=3)(c(c4)cccc4)Oc(c2C3)c(c1cc2OC)CC(O1)C(C)=C | + | SMILES C(C=3)(c(c4)cccc4)Oc(c2C3)c(c1cc2OC)CC(O1)C(C)=C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.3687 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3687 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8124 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2561 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2561 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8124 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3002 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8565 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8565 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3002 0.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4126 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9796 -0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5466 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5466 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9796 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4126 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9459 0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5848 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8460 0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9058 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5939 1.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5466 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2488 -1.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5343 -1.8248 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 2 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 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
6 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 1 1 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -7.2253 5.2437
S SKP 8
ID FL6FWXNF0001
KNApSAcK_ID C00008793
NAME Hildgardtene
CAS_RN 104777-96-0
FORMULA C21H20O3
EXACTMASS 320.141244506
AVERAGEMASS 320.38169999999997
SMILES C(C=3)(c(c4)cccc4)Oc(c2C3)c(c1cc2OC)CC(O1)C(C)=C
M END
