Mol:FL1C1ANI0011
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 |
| − | 1.1774 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1774 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1774 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1774 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7337 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2900 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2900 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2900 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2900 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7337 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0796 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0796 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4767 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4767 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6357 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6357 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1966 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1966 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6357 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6357 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1966 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1966 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7493 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3019 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3019 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3019 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3019 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7493 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8463 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8463 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7493 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8544 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8544 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8461 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8461 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4010 -0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4010 -0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9547 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9547 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5084 -0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5084 -0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9547 -0.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9547 -0.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8544 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8544 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4058 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4058 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9571 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9571 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5084 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5084 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9571 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9571 -0.9470 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 |
| − | 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 |
| − | 17 5 1 0 0 0 0 | + | 17 5 1 0 0 0 0 |
| − | 18 16 1 0 0 0 0 | + | 18 16 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 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 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0011 | + | ID FL1C1ANI0011 |
| − | KNApSAcK_ID C00007072 | + | KNApSAcK_ID C00007072 |
| − | NAME Kanzonol C | + | NAME Kanzonol C |
| − | CAS_RN 151135-82-9 | + | CAS_RN 151135-82-9 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES C(=Cc(c2)cc(c(O)c2)CC=C(C)C)C(=O)c(c(O)1)ccc(O)c(CC=C(C)C)1 | + | SMILES C(=Cc(c2)cc(c(O)c2)CC=C(C)C)C(=O)c(c(O)1)ccc(O)c(CC=C(C)C)1 |
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
1.1774 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1774 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0796 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4767 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6357 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1966 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6357 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1966 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3019 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3019 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8463 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8544 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8461 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4010 -0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9547 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5084 -0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9547 -0.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8544 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4058 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9571 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5084 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9571 -0.9470 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
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
17 5 1 0 0 0 0
18 16 1 0 0 0 0
14 19 1 0 0 0 0
4 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
15 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL1C1ANI0011
KNApSAcK_ID C00007072
NAME Kanzonol C
CAS_RN 151135-82-9
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES C(=Cc(c2)cc(c(O)c2)CC=C(C)C)C(=O)c(c(O)1)ccc(O)c(CC=C(C)C)1
M END
