Mol:FL6F1CNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2354 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2354 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2354 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2354 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6791 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6791 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1228 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1228 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1228 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1228 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6791 0.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6791 0.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5665 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5665 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0102 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0102 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0102 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0102 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5665 0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5665 0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5459 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5459 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1129 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1129 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6799 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6799 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6799 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6799 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1129 1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1129 1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5459 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5459 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7915 0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7915 0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2469 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2469 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8138 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8138 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8138 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8138 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2469 1.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2469 1.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1129 1.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1129 1.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3192 1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3192 1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4748 0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4748 0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7915 -0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7915 -0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3464 -0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3464 -0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7915 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7915 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4748 -1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4748 -1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2366 -1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2366 -1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1129 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1129 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6797 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6797 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6797 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6797 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2453 -1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2453 -1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1141 -1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1141 -1.9627 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 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 27 29 2 0 0 0 0 | + | 27 29 2 0 0 0 0 |
| − | 12 30 1 0 0 0 0 | + | 12 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1CNP0002 | + | ID FL6F1CNP0002 |
| − | KNApSAcK_ID C00008788 | + | KNApSAcK_ID C00008788 |
| − | NAME Kazinol H | + | NAME Kazinol H |
| − | CAS_RN 104494-37-3 | + | CAS_RN 104494-37-3 |
| − | FORMULA C30H36O4 | + | FORMULA C30H36O4 |
| − | EXACTMASS 460.26135963999997 | + | EXACTMASS 460.26135963999997 |
| − | AVERAGEMASS 460.60444 | + | AVERAGEMASS 460.60444 |
| − | SMILES c(c(C(C)(C)C=C)4)c(c3cc(O)4)CCC(O3)c(c1)c(CC=C(C)C)c(C=2)c(OC(C)(C)C2)c1O | + | SMILES c(c(C(C)(C)C=C)4)c(c3cc(O)4)CCC(O3)c(c1)c(CC=C(C)C)c(C=2)c(OC(C)(C)C2)c1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.2354 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2354 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6791 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1228 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1228 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6791 0.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5665 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0102 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0102 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5665 0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5459 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1129 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6799 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6799 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1129 1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5459 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7915 0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2469 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8138 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8138 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2469 1.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1129 1.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3192 1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4748 0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7915 -0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3464 -0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7915 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4748 -1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2366 -1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1129 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6797 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6797 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2453 -1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1141 -1.9627 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
15 22 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
27 29 2 0 0 0 0
12 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL6F1CNP0002
KNApSAcK_ID C00008788
NAME Kazinol H
CAS_RN 104494-37-3
FORMULA C30H36O4
EXACTMASS 460.26135963999997
AVERAGEMASS 460.60444
SMILES c(c(C(C)(C)C=C)4)c(c3cc(O)4)CCC(O3)c(c1)c(CC=C(C)C)c(C=2)c(OC(C)(C)C2)c1O
M END
