Mol:FL1CA9NP0009
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 |
| − | -1.8548 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8548 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8548 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8548 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1403 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1403 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4259 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4259 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4259 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4259 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1403 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1403 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2886 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2886 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2886 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2886 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0031 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0031 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7176 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7176 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1465 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1465 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8610 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8610 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8610 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8610 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1465 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1465 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4320 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4320 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1403 -1.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1403 -1.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2421 1.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2421 1.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7651 0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7651 0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5693 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5693 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2837 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2837 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2837 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2837 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5693 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5693 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2837 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2837 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8610 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8610 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8601 0.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8601 0.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 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 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 23 1 0 0 0 0 | + | 24 23 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NP0009 | + | ID FL1CA9NP0009 |
| − | KNApSAcK_ID C00014444 | + | KNApSAcK_ID C00014444 |
| − | NAME Epoxyobovatachalcone;4'',5''-Epoxy(6'',6''-dimethyl-4'',5''-dihydropyrano[2'',3'':4',3'])-2'-hydroxy-6'-methoxychalcone | + | NAME Epoxyobovatachalcone;4'',5''-Epoxy(6'',6''-dimethyl-4'',5''-dihydropyrano[2'',3'':4',3'])-2'-hydroxy-6'-methoxychalcone |
| − | CAS_RN 405555-04-6 | + | CAS_RN 405555-04-6 |
| − | FORMULA C21H20O5 | + | FORMULA C21H20O5 |
| − | EXACTMASS 352.13107375 | + | EXACTMASS 352.13107375 |
| − | AVERAGEMASS 352.3805 | + | AVERAGEMASS 352.3805 |
| − | SMILES COc(c(C(=O)C=Cc(c4)cccc4)1)cc(O3)c(C(O2)C(C3(C)C)2)c1O | + | SMILES COc(c(C(=O)C=Cc(c4)cccc4)1)cc(O3)c(C(O2)C(C3(C)C)2)c1O |
M END | M END | ||
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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
-1.8548 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8548 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1403 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4259 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4259 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1403 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2886 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2886 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0031 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7176 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1465 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8610 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8610 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1465 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4320 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1403 -1.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2421 1.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7651 0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5693 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2837 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2837 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5693 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2837 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8610 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8601 0.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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
3 17 1 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 2 1 0 0 0 0
22 24 1 0 0 0 0
24 23 1 0 0 0 0
21 25 1 0 0 0 0
21 26 1 0 0 0 0
S SKP 8
ID FL1CA9NP0009
KNApSAcK_ID C00014444
NAME Epoxyobovatachalcone;4'',5''-Epoxy(6'',6''-dimethyl-4'',5''-dihydropyrano[2'',3'':4',3'])-2'-hydroxy-6'-methoxychalcone
CAS_RN 405555-04-6
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES COc(c(C(=O)C=Cc(c4)cccc4)1)cc(O3)c(C(O2)C(C3(C)C)2)c1O
M END
