Mol:FL2F1ANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 37 0 0 0 0 0 0 0 0999 V2000 | + | 35 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5417 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5417 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5417 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5417 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0413 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0413 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5408 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5408 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5408 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5408 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0413 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0413 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0404 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0404 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5399 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5399 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0404 -0.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0404 -0.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0398 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0398 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4746 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4746 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9889 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9889 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9889 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9889 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4746 0.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4746 0.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0398 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0398 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5399 -0.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 -0.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0418 -0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0418 -0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0404 -2.1660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0404 -2.1660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0413 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0413 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5411 0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5411 0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5411 1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5411 1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0413 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0413 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0410 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0410 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5021 0.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5021 0.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4750 1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4750 1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9751 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9751 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9751 1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9751 1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4750 2.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4750 2.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4753 2.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4753 2.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5021 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5021 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0154 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0154 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5286 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5286 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5286 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5286 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0418 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0418 -0.4329 0.0000 C 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 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 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 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 26 15 1 0 0 0 0 | + | 26 15 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANI0001 | + | ID FL2F1ANI0001 |
| − | KNApSAcK_ID C00001005 | + | KNApSAcK_ID C00001005 |
| − | NAME Sophoranone;(-)-Sophoranone | + | NAME Sophoranone;(-)-Sophoranone |
| − | CAS_RN 23057-55-8 | + | CAS_RN 23057-55-8 |
| − | FORMULA C30H36O4 | + | FORMULA C30H36O4 |
| − | EXACTMASS 460.26135963999997 | + | EXACTMASS 460.26135963999997 |
| − | AVERAGEMASS 460.60444 | + | AVERAGEMASS 460.60444 |
| − | SMILES C(C=C(C)C)c(c13)c(ccc1C(=O)CC([H])(O3)c(c2)cc(CC=C(C)C)c(O)c2CC=C(C)C)O | + | SMILES C(C=C(C)C)c(c13)c(ccc1C(=O)CC([H])(O3)c(c2)cc(CC=C(C)C)c(O)c2CC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 37 0 0 0 0 0 0 0 0999 V2000
-2.5417 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5417 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5408 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5408 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0404 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0404 -0.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0398 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 0.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0398 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -0.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0418 -0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0404 -2.1660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5411 0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5411 1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0410 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5021 0.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4750 1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9751 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9751 1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4750 2.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4753 2.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5021 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0418 -0.4329 0.0000 C 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
7 19 2 0 0 0 0
6 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
14 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
26 15 1 0 0 0 0
13 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
S SKP 8
ID FL2F1ANI0001
KNApSAcK_ID C00001005
NAME Sophoranone;(-)-Sophoranone
CAS_RN 23057-55-8
FORMULA C30H36O4
EXACTMASS 460.26135963999997
AVERAGEMASS 460.60444
SMILES C(C=C(C)C)c(c13)c(ccc1C(=O)CC([H])(O3)c(c2)cc(CC=C(C)C)c(O)c2CC=C(C)C)O
M END
