Mol:FLIHDCNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0620 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0620 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0620 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0620 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5057 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5057 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9494 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9494 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9494 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9494 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5057 1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5057 1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3931 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3931 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1632 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1632 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1632 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1632 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3931 1.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3931 1.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7193 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7193 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7193 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7193 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3141 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3141 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9089 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9089 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9089 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9089 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3141 0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3141 0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7193 1.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7193 1.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4569 -1.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4569 -1.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1399 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1399 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4193 -1.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4193 -1.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4193 1.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4193 1.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9193 2.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9193 2.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8295 -0.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8295 -0.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1151 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1151 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9421 -0.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9421 -0.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2277 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2277 -0.4773 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 7 23 1 0 0 0 0 | + | 7 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 -1.9421 -0.0648 | + | M SVB 3 28 -1.9421 -0.0648 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -0.8295 -0.0648 | + | M SVB 2 26 -0.8295 -0.0648 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.4193 1.678 | + | M SVB 1 24 -2.4193 1.678 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIHDCNS0001 | + | ID FLIHDCNS0001 |
| − | KNApSAcK_ID C00009786 | + | KNApSAcK_ID C00009786 |
| − | NAME Derrusnin;4,5,7-Trimethoxy-3-(3,4-methylenedioxyphenyl)coumarin | + | NAME Derrusnin;4,5,7-Trimethoxy-3-(3,4-methylenedioxyphenyl)coumarin |
| − | CAS_RN 14736-62-0 | + | CAS_RN 14736-62-0 |
| − | FORMULA C19H16O7 | + | FORMULA C19H16O7 |
| − | EXACTMASS 356.089602866 | + | EXACTMASS 356.089602866 |
| − | AVERAGEMASS 356.32614 | + | AVERAGEMASS 356.32614 |
| − | SMILES c(c41)(OCO4)ccc(C(C(=O)2)=C(c(c(OC)3)c(cc(OC)c3)O2)OC)c1 | + | SMILES c(c41)(OCO4)ccc(C(C(=O)2)=C(c(c(OC)3)c(cc(OC)c3)O2)OC)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.0620 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0620 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5057 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9494 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9494 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5057 1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3931 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1632 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1632 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3931 1.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7193 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7193 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3141 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9089 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9089 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3141 0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7193 1.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4569 -1.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1399 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4193 -1.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4193 1.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9193 2.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8295 -0.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1151 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9421 -0.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2277 -0.4773 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 2 0 0 0 0
8 9 1 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
9 17 2 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 14 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
7 23 1 0 0 0 0
23 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -1.9421 -0.0648
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -0.8295 -0.0648
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.4193 1.678
S SKP 8
ID FLIHDCNS0001
KNApSAcK_ID C00009786
NAME Derrusnin;4,5,7-Trimethoxy-3-(3,4-methylenedioxyphenyl)coumarin
CAS_RN 14736-62-0
FORMULA C19H16O7
EXACTMASS 356.089602866
AVERAGEMASS 356.32614
SMILES c(c41)(OCO4)ccc(C(C(=O)2)=C(c(c(OC)3)c(cc(OC)c3)O2)OC)c1
M END
