Mol:FL6F1CNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5417 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5417 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5417 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5417 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0413 -1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0413 -1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5408 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5408 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5408 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5408 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0413 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0413 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0773 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0773 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5399 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5399 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0404 -0.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0404 -0.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0398 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0398 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4746 -0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4746 -0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9889 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9889 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9889 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9889 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4746 0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4746 0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0398 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0398 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5399 -0.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 -0.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0418 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0418 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5021 0.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5021 0.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5530 0.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5530 0.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5530 0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5530 0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0650 1.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0650 1.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5759 0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5759 0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0650 1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0650 1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5021 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5021 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0154 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0154 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5286 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5286 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0418 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0418 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5286 -1.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5286 -1.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4746 0.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4746 0.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 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 |
| − | 13 25 1 0 0 0 0 | + | 13 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 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1CNI0001 | + | ID FL6F1CNI0001 |
| − | KNApSAcK_ID C00000975 | + | KNApSAcK_ID C00000975 |
| − | NAME Kazinol A | + | NAME Kazinol A |
| − | CAS_RN 99624-28-9 | + | CAS_RN 99624-28-9 |
| − | FORMULA C25H30O4 | + | FORMULA C25H30O4 |
| − | EXACTMASS 394.21440944799997 | + | EXACTMASS 394.21440944799997 |
| − | AVERAGEMASS 394.50329999999997 | + | AVERAGEMASS 394.50329999999997 |
| − | SMILES C(C2)c(c1OC2(c(c(CC=C(C)C)3)cc(c(O)c3O)CC=C(C)C)[H])ccc(c1)O | + | SMILES C(C2)c(c1OC2(c(c(CC=C(C)C)3)cc(c(O)c3O)CC=C(C)C)[H])ccc(c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-2.5417 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5417 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 -1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5408 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5408 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0773 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0404 -0.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0398 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 -0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0398 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -0.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0418 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5021 0.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5530 0.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5530 0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0650 1.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0650 1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5021 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0418 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 -1.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 0.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
9 17 1 1 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
16 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
13 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
15 30 1 0 0 0 0
S SKP 8
ID FL6F1CNI0001
KNApSAcK_ID C00000975
NAME Kazinol A
CAS_RN 99624-28-9
FORMULA C25H30O4
EXACTMASS 394.21440944799997
AVERAGEMASS 394.50329999999997
SMILES C(C2)c(c1OC2(c(c(CC=C(C)C)3)cc(c(O)c3O)CC=C(C)C)[H])ccc(c1)O
M END
