Mol:FL2FAANI0016
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0635 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0635 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0217 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0217 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0217 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0217 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0635 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0635 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4992 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4992 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0200 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0200 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0200 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0200 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4992 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4992 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5404 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5404 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4992 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4992 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0748 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0748 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6091 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6091 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6091 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6091 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0748 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0748 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5404 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5404 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1426 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1426 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5839 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5839 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5839 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5839 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1042 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1042 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6234 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6234 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1426 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1426 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6234 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6234 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1042 -0.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1042 -0.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0630 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0630 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0630 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0630 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5834 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5834 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 1.8032 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 22 26 1 4 0 0 0 | + | 22 26 1 4 0 0 0 |
| − | 5 27 1 0 0 0 0 | + | 5 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANI0016 | + | ID FL2FAANI0016 |
| − | KNApSAcK_ID C00008511 | + | KNApSAcK_ID C00008511 |
| − | NAME Lupiniol A1;Lupiniol A2 | + | NAME Lupiniol A1;Lupiniol A2 |
| − | CAS_RN 162616-67-3,162681-79-0 | + | CAS_RN 162616-67-3,162681-79-0 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES O=C(C2)c(c1O)c(OC(c(c3)ccc(c3)O)2)c(c(c1CC(O)C(C)=C)O)CC=C(C)C | + | SMILES O=C(C2)c(c1O)c(OC(c(c3)ccc(c3)O)2)c(c(c1CC(O)C(C)=C)O)CC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.0635 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0635 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0200 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0200 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5404 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0748 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6091 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6091 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0748 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5404 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1426 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5839 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5839 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1042 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1426 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1042 -0.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0630 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0630 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5834 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 1.8032 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
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
15 19 1 0 0 0 0
6 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
22 26 1 4 0 0 0
5 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FAANI0016
KNApSAcK_ID C00008511
NAME Lupiniol A1;Lupiniol A2
CAS_RN 162616-67-3,162681-79-0
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES O=C(C2)c(c1O)c(OC(c(c3)ccc(c3)O)2)c(c(c1CC(O)C(C)=C)O)CC=C(C)C
M END
