Mol:FLIAADNI0001
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 |
| − | -2.8957 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8957 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8957 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8957 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3394 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7831 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7831 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3394 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2268 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6705 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6705 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2268 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1144 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1144 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1144 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1144 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4804 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4804 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0752 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0752 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0752 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0752 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4804 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4804 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2268 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3394 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4520 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4520 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6694 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6694 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2636 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2636 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8578 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8578 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4520 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4520 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8578 1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8578 1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0630 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0630 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7775 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7775 -1.4494 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 |
| − | 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 |
| − | 15 21 1 0 0 0 0 | + | 15 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 |
| − | 13 26 1 0 0 0 0 | + | 13 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 SBV 1 28 -7.0833 5.5561 | + | M SBV 1 28 -7.0833 5.5561 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAADNI0001 | + | ID FLIAADNI0001 |
| − | KNApSAcK_ID C00009834 | + | KNApSAcK_ID C00009834 |
| − | NAME 2'-Deoxypiscerythrone;5,7,4'-Trihydroxy-3'-methoxy-5'-prenylisoflavone | + | NAME 2'-Deoxypiscerythrone;5,7,4'-Trihydroxy-3'-methoxy-5'-prenylisoflavone |
| − | CAS_RN 95261-30-6 | + | CAS_RN 95261-30-6 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES c(c(O)3)c(O)c(c(c3)1)C(C(c(c2)cc(c(O)c2OC)CC=C(C)C)=CO1)=O | + | SMILES c(c(O)3)c(O)c(c(c3)1)C(C(c(c2)cc(c(O)c2OC)CC=C(C)C)=CO1)=O |
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
-2.8957 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8957 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1144 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1144 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4804 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0752 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0752 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4804 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4520 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2636 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8578 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8578 1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0630 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7775 -1.4494 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
15 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
13 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 SBV 1 28 -7.0833 5.5561
S SKP 8
ID FLIAADNI0001
KNApSAcK_ID C00009834
NAME 2'-Deoxypiscerythrone;5,7,4'-Trihydroxy-3'-methoxy-5'-prenylisoflavone
CAS_RN 95261-30-6
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES c(c(O)3)c(O)c(c(c3)1)C(C(c(c2)cc(c(O)c2OC)CC=C(C)C)=CO1)=O
M END
