Mol:FLIAFANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1929 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1929 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1929 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1929 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6366 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6366 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0803 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0803 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0803 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0803 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6366 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6366 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5240 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5240 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9677 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9677 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9677 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9677 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5240 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5240 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4116 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4116 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4116 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4116 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1832 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1832 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7780 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7780 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7780 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7780 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1832 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1832 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5240 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5240 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6366 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6366 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7490 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7490 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3722 -1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3722 -1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1548 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1548 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1548 -0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1548 -0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7490 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7490 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3585 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3585 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9219 2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9219 2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -2.3585 1.4439 | + | M SVB 1 28 -2.3585 1.4439 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAFANI0001 | + | ID FLIAFANI0001 |
| − | KNApSAcK_ID C00009507 | + | KNApSAcK_ID C00009507 |
| − | NAME Aurmillone;5,7-Dihydroxy-8-methoxy-4'-prenyloxyisoflavone | + | NAME Aurmillone;5,7-Dihydroxy-8-methoxy-4'-prenyloxyisoflavone |
| − | CAS_RN 68415-32-7 | + | CAS_RN 68415-32-7 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES c(c3)(O)c(C1=O)c(c(c(O)3)OC)OC=C1c(c2)ccc(OCC=C(C)C)c2 | + | SMILES c(c3)(O)c(C1=O)c(c(c(O)3)OC)OC=C1c(c2)ccc(OCC=C(C)C)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-3.1929 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1929 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6366 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0803 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0803 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6366 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5240 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9677 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9677 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5240 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4116 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4116 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1832 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7780 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7780 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1832 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5240 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6366 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7490 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3722 -1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1548 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1548 -0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7490 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3585 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9219 2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -2.3585 1.4439
S SKP 8
ID FLIAFANI0001
KNApSAcK_ID C00009507
NAME Aurmillone;5,7-Dihydroxy-8-methoxy-4'-prenyloxyisoflavone
CAS_RN 68415-32-7
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES c(c3)(O)c(C1=O)c(c(c(O)3)OC)OC=C1c(c2)ccc(OCC=C(C)C)c2
M END
