Mol:FLIA1ANI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0709 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0709 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0709 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0709 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5146 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5146 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0417 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0417 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0417 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0417 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5146 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5146 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5980 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1543 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1543 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1543 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1543 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5980 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7104 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7104 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7104 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7104 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3052 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3052 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9000 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9000 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9000 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9000 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3052 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3052 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6270 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5980 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2953 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2953 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2953 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2953 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8514 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8514 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7660 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7660 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6321 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6321 -1.6763 0.0000 C 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 3.1369 -0.8826 | + | M SVB 1 26 3.1369 -0.8826 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1ANI0003 | + | ID FLIA1ANI0003 |
| − | KNApSAcK_ID C00009810 | + | KNApSAcK_ID C00009810 |
| − | NAME Maximaisoflavone J;7-Prenyloxy-4'-methoxyisoflavone | + | NAME Maximaisoflavone J;7-Prenyloxy-4'-methoxyisoflavone |
| − | CAS_RN 16277-87-5 | + | CAS_RN 16277-87-5 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES c(c1)c(cc(O3)c(C(C(=C3)c(c2)ccc(OC)c2)=O)1)OCC=C(C)C | + | SMILES c(c1)c(cc(O3)c(C(C(=C3)c(c2)ccc(OC)c2)=O)1)OCC=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/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.0709 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0709 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5146 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0417 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0417 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5146 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1543 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1543 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7104 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7104 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3052 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9000 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9000 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3052 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2953 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2953 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8514 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7660 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6321 -1.6763 0.0000 C 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
1 17 1 0 0 0 0
7 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 3.1369 -0.8826
S SKP 8
ID FLIA1ANI0003
KNApSAcK_ID C00009810
NAME Maximaisoflavone J;7-Prenyloxy-4'-methoxyisoflavone
CAS_RN 16277-87-5
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES c(c1)c(cc(O3)c(C(C(=C3)c(c2)ccc(OC)c2)=O)1)OCC=C(C)C
M END
