Mol:FLIAAINI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 36 0 0 0 0 0 0 0 0999 V2000 | + | 34 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8071 0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8071 0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8071 -0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8071 -0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2508 -0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2508 -0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6945 -0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6945 -0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6945 0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6945 0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2508 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2508 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1382 -0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1382 -0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4181 -0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4181 -0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4181 0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4181 0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1382 0.8926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1382 0.8926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9742 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9742 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9742 -1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9742 -1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5690 -1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5690 -1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1638 -1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1638 -1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1638 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1638 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5690 -0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5690 -0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1382 -1.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1382 -1.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3632 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3632 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3632 0.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3632 0.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2508 -1.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2508 -1.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7580 -1.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7580 -1.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3632 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3632 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9181 -1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9181 -1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9181 -1.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9181 -1.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4730 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4730 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5690 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5690 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1620 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1620 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1620 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1620 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7538 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7538 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5702 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5702 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1516 -1.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1516 -1.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8661 -2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8661 -2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7585 -0.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7585 -0.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4730 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4730 -0.4612 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 |
| − | 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 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 |
| − | 16 26 1 0 0 0 0 | + | 16 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 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 15 33 1 0 0 0 0 | + | 15 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 33 -5.2110 5.0198 | + | M SBV 1 33 -5.2110 5.0198 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 35 -4.1988 5.5348 | + | M SBV 2 35 -4.1988 5.5348 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAINI0001 | + | ID FLIAAINI0001 |
| − | KNApSAcK_ID C00009924 | + | KNApSAcK_ID C00009924 |
| − | NAME Pumilaisoflavone C;5,7,4'-Trihydroxy-3',5'-dimethoxy-6,2'-diprenylisoflavone | + | NAME Pumilaisoflavone C;5,7,4'-Trihydroxy-3',5'-dimethoxy-6,2'-diprenylisoflavone |
| − | CAS_RN 122221-90-3 | + | CAS_RN 122221-90-3 |
| − | FORMULA C27H30O7 | + | FORMULA C27H30O7 |
| − | EXACTMASS 466.199153314 | + | EXACTMASS 466.199153314 |
| − | AVERAGEMASS 466.52290000000005 | + | AVERAGEMASS 466.52290000000005 |
| − | SMILES CC(C)=CCc(c(C(C(=O)2)=COc(c3)c(c(O)c(CC=C(C)C)c3O)2)1)c(OC)c(O)c(c1)OC | + | SMILES CC(C)=CCc(c(C(C(=O)2)=COc(c3)c(c(O)c(CC=C(C)C)c3O)2)1)c(OC)c(O)c(c1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 36 0 0 0 0 0 0 0 0999 V2000
-1.8071 0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8071 -0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2508 -0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6945 -0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6945 0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2508 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1382 -0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4181 -0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4181 0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1382 0.8926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9742 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9742 -1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5690 -1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1638 -1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1638 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5690 -0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1382 -1.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 0.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2508 -1.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7580 -1.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9181 -1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9181 -1.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4730 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5690 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1620 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1620 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7538 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5702 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1516 -1.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8661 -2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7585 -0.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4730 -0.4612 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
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 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
16 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
13 31 1 0 0 0 0
31 32 1 0 0 0 0
15 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -5.2110 5.0198
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 35
M SMT 2 OCH3
M SBV 2 35 -4.1988 5.5348
S SKP 8
ID FLIAAINI0001
KNApSAcK_ID C00009924
NAME Pumilaisoflavone C;5,7,4'-Trihydroxy-3',5'-dimethoxy-6,2'-diprenylisoflavone
CAS_RN 122221-90-3
FORMULA C27H30O7
EXACTMASS 466.199153314
AVERAGEMASS 466.52290000000005
SMILES CC(C)=CCc(c(C(C(=O)2)=COc(c3)c(c(O)c(CC=C(C)C)c3O)2)1)c(OC)c(O)c(c1)OC
M END
