Mol:FL1C1ANM0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2321 0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2321 0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2321 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2321 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6758 -0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6758 -0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1195 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1195 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1195 0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1195 0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6758 0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6758 0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5632 -0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5632 -0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0069 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0069 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5492 -0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5492 -0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1053 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1053 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6663 -0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6663 -0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2273 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2273 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2273 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2273 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6663 0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6663 0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1053 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1053 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5632 -1.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5632 -1.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6758 1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6758 1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1614 1.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1614 1.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7882 0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7882 0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7882 0.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7882 0.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1122 -0.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1122 -0.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3977 -1.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3977 -1.4105 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.1122 -0.998 | + | M SVB 1 23 -2.1122 -0.998 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANM0001 | + | ID FL1C1ANM0001 |
| − | KNApSAcK_ID C00007038 | + | KNApSAcK_ID C00007038 |
| − | NAME Isoneobavachalcone | + | NAME Isoneobavachalcone |
| − | CAS_RN 76444-57-0 | + | CAS_RN 76444-57-0 |
| − | FORMULA C17H14O5 | + | FORMULA C17H14O5 |
| − | EXACTMASS 298.084123558 | + | EXACTMASS 298.084123558 |
| − | AVERAGEMASS 298.29006 | + | AVERAGEMASS 298.29006 |
| − | SMILES O=Cc(c1)c(O)cc(OC)c1C(=O)C=Cc(c2)ccc(O)c2 | + | SMILES O=Cc(c1)c(O)cc(OC)c1C(=O)C=Cc(c2)ccc(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-2.2321 0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2321 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5492 -0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 -0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -1.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1614 1.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7882 0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 0.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1122 -0.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3977 -1.4105 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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
6 17 1 0 0 0 0
17 18 2 0 0 0 0
21 22 1 0 0 0 0
1 19 1 0 0 0 0
13 20 1 0 0 0 0
3 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.1122 -0.998
S SKP 8
ID FL1C1ANM0001
KNApSAcK_ID C00007038
NAME Isoneobavachalcone
CAS_RN 76444-57-0
FORMULA C17H14O5
EXACTMASS 298.084123558
AVERAGEMASS 298.29006
SMILES O=Cc(c1)c(O)cc(OC)c1C(=O)C=Cc(c2)ccc(O)c2
M END
