Mol:FL6F1CNP0001
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5770 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5770 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5770 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5770 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0207 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0207 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4644 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4644 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4644 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4644 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0207 -0.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0207 -0.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9081 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9081 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3518 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3518 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3518 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3518 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9081 -0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9081 -0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2043 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2043 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7712 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7712 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3382 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3382 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3382 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3382 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7712 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7712 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2043 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2043 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1331 -0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1331 -0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9052 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9052 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4722 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4722 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4722 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4722 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9052 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9052 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3625 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3625 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3625 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3625 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9282 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9282 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9282 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9282 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4938 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4938 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7712 0.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7712 0.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9775 0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9775 0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1331 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1331 -0.1875 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 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 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 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 20 29 1 0 0 0 0 | + | 20 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1CNP0001 | + | ID FL6F1CNP0001 |
| − | KNApSAcK_ID C00008787 | + | KNApSAcK_ID C00008787 |
| − | NAME Kazinol B | + | NAME Kazinol B |
| − | CAS_RN 99624-27-8 | + | CAS_RN 99624-27-8 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES c(c1)c(C2)c(OC(c(c(CC=C(C)C)4)cc(c(c(O)4)3)C=CC(O3)(C)C)C2)cc1O | + | SMILES c(c1)c(C2)c(OC(c(c(CC=C(C)C)4)cc(c(c(O)4)3)C=CC(O3)(C)C)C2)cc1O |
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 32 0 0 0 0 0 0 0 0999 V2000
-2.5770 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5770 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4644 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4644 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 -0.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9081 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3518 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3518 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9081 -0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2043 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7712 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3382 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3382 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7712 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2043 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1331 -0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9052 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4722 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4722 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9052 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3625 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3625 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9282 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9282 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4938 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7712 0.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9775 0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1331 -0.1875 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 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
1 17 1 0 0 0 0
13 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 14 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
15 27 1 0 0 0 0
20 28 1 0 0 0 0
20 29 1 0 0 0 0
S SKP 8
ID FL6F1CNP0001
KNApSAcK_ID C00008787
NAME Kazinol B
CAS_RN 99624-27-8
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES c(c1)c(C2)c(OC(c(c(CC=C(C)C)4)cc(c(c(O)4)3)C=CC(O3)(C)C)C2)cc1O
M END
