Mol:FLIAAANP0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3338 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3338 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3338 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3338 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7775 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7775 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2212 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2212 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2212 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2212 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7775 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7775 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6649 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6649 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1086 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1086 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1086 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1086 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6649 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6649 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4475 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4475 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4475 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4475 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0423 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0423 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6371 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6371 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6371 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6371 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0423 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0423 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6649 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6649 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8899 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8899 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8899 0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8899 0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7775 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7775 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4460 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4460 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4460 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4460 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4460 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4460 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0139 0.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0139 0.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2313 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2313 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2313 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2313 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8255 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8255 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4197 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4197 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4197 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4197 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0139 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0139 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0009 -0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0009 -0.2864 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 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 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 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 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 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 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0010 | + | ID FLIAAANP0010 |
| − | KNApSAcK_ID C00009931 | + | KNApSAcK_ID C00009931 |
| − | NAME Lupinisolone A | + | NAME Lupinisolone A |
| − | CAS_RN 121747-96-4 | + | CAS_RN 121747-96-4 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES C(=CCc(c1)c(ccc(C(C(=O)2)=COc(c3)c2c(O)c(C4)c(OC(C)(C)C(O)4)3)1)O)(C)C | + | SMILES C(=CCc(c1)c(ccc(C(C(=O)2)=COc(c3)c2c(O)c(C4)c(OC(C)(C)C(O)4)3)1)O)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.3338 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3338 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7775 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2212 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2212 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7775 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6649 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1086 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1086 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6649 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4475 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4475 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0423 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0423 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6649 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8899 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8899 0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7775 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4460 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4460 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4460 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0139 0.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2313 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2313 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8255 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4197 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4197 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0139 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0009 -0.2864 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
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 18 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
14 25 1 0 0 0 0
15 26 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
22 31 1 0 0 0 0
S SKP 8
ID FLIAAANP0010
KNApSAcK_ID C00009931
NAME Lupinisolone A
CAS_RN 121747-96-4
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(=CCc(c1)c(ccc(C(C(=O)2)=COc(c3)c2c(O)c(C4)c(OC(C)(C)C(O)4)3)1)O)(C)C
M END
