Mol:FLIAALNP0014
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7470 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7470 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7470 0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7470 0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1907 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1907 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6344 0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6344 0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6344 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6344 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1907 1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1907 1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0781 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0781 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4782 0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4782 0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4782 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4782 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0781 1.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0781 1.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0343 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0343 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0343 -0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0343 -0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6291 -1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6291 -1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2239 -0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2239 -0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2239 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2239 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6291 0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6291 0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0781 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0781 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3031 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3031 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3031 1.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3031 1.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1907 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1907 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8181 -1.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8181 -1.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3031 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3031 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8580 -0.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8580 -0.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8580 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8580 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4129 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4129 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8187 0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8187 0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8187 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8187 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.7385 1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7385 1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.4129 1.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4129 1.3473 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
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| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
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| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 16 1 0 0 0 0 | + | 29 16 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNP0014 | + | ID FLIAALNP0014 |
| − | KNApSAcK_ID C00009917 | + | KNApSAcK_ID C00009917 |
| − | NAME Lupinisolone C | + | NAME Lupinisolone C |
| − | CAS_RN 121747-98-6 | + | CAS_RN 121747-98-6 |
| − | FORMULA C25H26O7 | + | FORMULA C25H26O7 |
| − | EXACTMASS 438.167853186 | + | EXACTMASS 438.167853186 |
| − | AVERAGEMASS 438.46974 | + | AVERAGEMASS 438.46974 |
| − | SMILES c(c4)(c(c(c(c4)C(=C2)C(c(c(O)3)c(cc(c3CC=C(C)C)O)O2)=O)1)CC(O)C(C)(C)O1)O | + | SMILES c(c4)(c(c(c(c4)C(=C2)C(c(c(O)3)c(cc(c3CC=C(C)C)O)O2)=O)1)CC(O)C(C)(C)O1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.7470 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7470 0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1907 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6344 0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6344 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1907 1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0781 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4782 0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4782 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0781 1.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0343 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0343 -0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6291 -1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2239 -0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2239 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6291 0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0781 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3031 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3031 1.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1907 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8181 -1.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3031 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8580 -0.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8580 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4129 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8187 0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8187 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2239 1.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6291 1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7385 1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6764 1.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4129 1.3473 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 16 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
S SKP 8
ID FLIAALNP0014
KNApSAcK_ID C00009917
NAME Lupinisolone C
CAS_RN 121747-98-6
FORMULA C25H26O7
EXACTMASS 438.167853186
AVERAGEMASS 438.46974
SMILES c(c4)(c(c(c(c4)C(=C2)C(c(c(O)3)c(cc(c3CC=C(C)C)O)O2)=O)1)CC(O)C(C)(C)O1)O
M END
