Mol:FL2FAANF0004
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 |
| − | -1.0635 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0635 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0217 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0217 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0217 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0217 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0635 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0635 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4992 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4992 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0200 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0200 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0200 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0200 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4992 0.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4992 0.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5404 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5404 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4992 -1.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4992 -1.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0748 -0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0748 -0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6091 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6091 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6091 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6091 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0748 0.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0748 0.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5404 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5404 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 -1.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 -1.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1426 0.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1426 0.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5839 0.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5839 0.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5839 -1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5839 -1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1042 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1042 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6234 -1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6234 -1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1426 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1426 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6234 -1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6234 -1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5849 0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5849 0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0313 1.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0313 1.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0313 1.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0313 1.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5543 0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5543 0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5911 1.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5911 1.4374 0.0000 O 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 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 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 21 27 2 0 0 0 0 | + | 21 27 2 0 0 0 0 |
| − | 27 20 1 0 0 0 0 | + | 27 20 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 |
| − | 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANF0004 | + | ID FL2FAANF0004 |
| − | KNApSAcK_ID C00008513 | + | KNApSAcK_ID C00008513 |
| − | NAME Lupinenol | + | NAME Lupinenol |
| − | CAS_RN 162616-69-5 | + | CAS_RN 162616-69-5 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c23)(OC(c(c4)ccc(c4)O)CC3=O)c(c1c(c2O)CC=C(C)C)cc(C(C)(C)O)o1 | + | SMILES c(c23)(OC(c(c4)ccc(c4)O)CC3=O)c(c1c(c2O)CC=C(C)C)cc(C(C)(C)O)o1 |
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 34 0 0 0 0 0 0 0 0999 V2000
-1.0635 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0635 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0200 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0200 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 0.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5404 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 -1.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0748 -0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6091 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6091 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0748 0.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5404 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 -1.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1426 0.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5839 0.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5839 -1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1042 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 -1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1426 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 -1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5849 0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0313 1.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0313 1.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5543 0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5911 1.4374 0.0000 O 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 0 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
5 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
21 27 2 0 0 0 0
27 20 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
S SKP 8
ID FL2FAANF0004
KNApSAcK_ID C00008513
NAME Lupinenol
CAS_RN 162616-69-5
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c23)(OC(c(c4)ccc(c4)O)CC3=O)c(c1c(c2O)CC=C(C)C)cc(C(C)(C)O)o1
M END
