Mol:FLIAAANI0011
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 |
| − | -2.3394 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3394 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7831 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2268 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2268 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7831 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6705 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1142 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1142 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1142 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1142 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6705 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4419 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4419 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4419 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4419 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0367 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0367 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6315 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6315 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6315 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6315 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0367 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0367 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6705 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8955 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8955 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8955 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8955 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7831 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2257 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2257 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8955 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8955 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4504 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4504 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4504 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4504 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0053 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0053 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2263 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2263 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8205 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8205 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4135 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4135 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4135 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4135 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0053 0.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0053 0.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3406 -0.8025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3406 -0.8025 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 |
| − | 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 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 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 FLIAAANI0011 | + | ID FLIAAANI0011 |
| − | KNApSAcK_ID C00009925 | + | KNApSAcK_ID C00009925 |
| − | NAME Lupinisol A | + | NAME Lupinisol A |
| − | CAS_RN 121747-99-7 | + | CAS_RN 121747-99-7 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES OC(Cc(c(O)3)c(O)c(c2c3)C(C(=CO2)c(c1)cc(c(c1)O)CC=C(C)C)=O)C(C)=C | + | SMILES OC(Cc(c(O)3)c(O)c(c2c3)C(C(=CO2)c(c1)cc(c(c1)O)CC=C(C)C)=O)C(C)=C |
M END | M END | ||
| − | |||
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
-2.3394 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1142 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1142 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6315 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6315 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2257 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4504 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4504 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0053 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2263 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8205 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4135 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4135 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0053 0.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3406 -0.8025 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 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 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 FLIAAANI0011
KNApSAcK_ID C00009925
NAME Lupinisol A
CAS_RN 121747-99-7
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES OC(Cc(c(O)3)c(O)c(c2c3)C(C(=CO2)c(c1)cc(c(c1)O)CC=C(C)C)=O)C(C)=C
M END
