Mol:FL6F1CNI0002
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 34 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1990 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1990 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1990 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1990 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6427 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6427 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0864 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0864 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0864 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0864 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6427 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6427 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5301 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5301 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0262 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0262 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0262 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0262 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5301 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5301 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5823 0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5823 0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1492 0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1492 0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7162 0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7162 0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7162 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7162 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1492 1.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1492 1.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5823 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5823 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7551 0.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7551 0.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2832 1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2832 1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1492 1.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1492 1.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2830 0.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2830 0.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2830 -0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2830 -0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8486 -0.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8486 -0.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8486 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8486 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4131 -0.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4131 -0.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7551 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7551 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3100 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3100 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7551 -1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7551 -1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4131 -1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4131 -1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2587 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2587 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1492 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1492 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5441 -0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5441 -0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5718 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5718 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1332 -1.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1332 -1.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0002 -1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0002 -1.9498 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 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 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 |
| − | 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 FL6F1CNI0002 | + | ID FL6F1CNI0002 |
| − | KNApSAcK_ID C00008789 | + | KNApSAcK_ID C00008789 |
| − | NAME Kazinol E | + | NAME Kazinol E |
| − | CAS_RN 104494-34-0 | + | CAS_RN 104494-34-0 |
| − | FORMULA C30H38O4 | + | FORMULA C30H38O4 |
| − | EXACTMASS 462.27700970399997 | + | EXACTMASS 462.27700970399997 |
| − | AVERAGEMASS 462.62032 | + | AVERAGEMASS 462.62032 |
| − | SMILES C(=CCc(c(O)3)c(c(cc3O)C(O2)CCc(c12)cc(C(C)(C)C=C)c(c1)O)CC=C(C)C)(C)C | + | SMILES C(=CCc(c(O)3)c(c(cc3O)C(O2)CCc(c12)cc(C(C)(C)C=C)c(c1)O)CC=C(C)C)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 36 0 0 0 0 0 0 0 0999 V2000
-2.1990 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1990 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6427 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0864 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0864 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6427 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5301 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0262 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0262 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5301 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5823 0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1492 0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7162 0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7162 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1492 1.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5823 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7551 0.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2832 1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1492 1.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2830 0.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2830 -0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8486 -0.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8486 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4131 -0.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7551 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3100 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7551 -1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4131 -1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2587 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1492 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5441 -0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5718 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1332 -1.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0002 -1.9498 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
18 14 1 0 0 0 0
15 19 1 0 0 0 0
13 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
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 FL6F1CNI0002
KNApSAcK_ID C00008789
NAME Kazinol E
CAS_RN 104494-34-0
FORMULA C30H38O4
EXACTMASS 462.27700970399997
AVERAGEMASS 462.62032
SMILES C(=CCc(c(O)3)c(c(cc3O)C(O2)CCc(c12)cc(C(C)(C)C=C)c(c1)O)CC=C(C)C)(C)C
M END
