Mol:FL1C98NI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 30 0 0 0 0 0 0 0 0999 V2000 | + | 29 30 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.3680 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3680 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3680 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3680 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9243 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9243 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4806 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4806 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4806 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4806 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9243 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9243 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2348 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2348 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7911 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7911 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6787 -0.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6787 -0.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1177 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1177 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6787 -1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6787 -1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1177 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1177 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5651 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5651 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0124 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0124 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0124 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0124 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5651 -0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5651 -0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5651 -1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5651 -1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5402 -0.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5402 -0.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6141 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6141 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1666 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1666 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7192 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7192 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7192 1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7192 1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2717 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2717 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8242 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8242 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3767 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3767 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9293 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9293 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4806 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4806 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9293 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9293 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9243 -1.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9243 -1.3164 0.0000 O 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C98NI0001 | + | ID FL1C98NI0001 |
| − | KNApSAcK_ID C00007122 | + | KNApSAcK_ID C00007122 |
| − | NAME Flemiwallichin E | + | NAME Flemiwallichin E |
| − | CAS_RN 96657-92-0 | + | CAS_RN 96657-92-0 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES Oc(c1)c(C=CC(=O)c(c2)c(O)c(c(c2)CC=C(C)CCC=C(C)C)O)ccc1 | + | SMILES Oc(c1)c(C=CC(=O)c(c2)c(O)c(c(c2)CC=C(C)CCC=C(C)C)O)ccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 30 0 0 0 0 0 0 0 0999 V2000
3.3680 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3680 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9243 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4806 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4806 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9243 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2348 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7911 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6787 -0.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1177 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6787 -1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1177 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5651 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0124 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0124 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5651 -0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5651 -1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5402 -0.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6141 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1666 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7192 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7192 1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2717 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8242 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3767 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9293 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4806 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9293 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9243 -1.3164 0.0000 O 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
18 15 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
3 29 1 0 0 0 0
14 19 1 0 0 0 0
S SKP 8
ID FL1C98NI0001
KNApSAcK_ID C00007122
NAME Flemiwallichin E
CAS_RN 96657-92-0
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES Oc(c1)c(C=CC(=O)c(c2)c(O)c(c(c2)CC=C(C)CCC=C(C)C)O)ccc1
M END
