Mol:FL1C1ANP0020
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9069 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9069 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9069 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9069 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1924 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1924 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4779 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4779 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4779 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4779 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1924 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1924 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6214 2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6214 2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7635 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7635 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0490 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0490 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6655 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6655 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6655 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6655 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0490 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0490 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0490 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0490 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6655 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6655 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6655 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6655 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0490 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0490 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0944 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0944 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8089 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8089 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8089 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8089 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0944 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0944 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0911 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0911 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6214 -0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6214 -0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5234 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5234 -1.4438 0.0000 O 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 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 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 |
| − | 10 12 1 0 0 0 0 | + | 10 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 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 17 1 0 0 0 0 | + | 23 17 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 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 FL1C1ANP0020 | + | ID FL1C1ANP0020 |
| − | KNApSAcK_ID C00014468 | + | KNApSAcK_ID C00014468 |
| − | NAME Xanthoangelol H;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-4'-methoxychalcone | + | NAME Xanthoangelol H;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-4'-methoxychalcone |
| − | CAS_RN 265652-89-9 | + | CAS_RN 265652-89-9 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES O(C(C)(C)2)c(c1C(=O)C=Cc(c3)ccc(O)c3)c(CC2O)c(cc1)OC | + | SMILES O(C(C)(C)2)c(c1C(=O)C=Cc(c3)ccc(O)c3)c(CC2O)c(cc1)OC |
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 28 0 0 0 0 0 0 0 0999 V2000
-2.9069 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9069 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4779 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4779 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6214 2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7635 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0944 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8089 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8089 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0944 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0911 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6214 -0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5234 -1.4438 0.0000 O 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
1 7 1 0 0 0 0
4 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
10 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 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
16 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 17 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
21 26 1 0 0 0 0
S SKP 8
ID FL1C1ANP0020
KNApSAcK_ID C00014468
NAME Xanthoangelol H;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-4'-methoxychalcone
CAS_RN 265652-89-9
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES O(C(C)(C)2)c(c1C(=O)C=Cc(c3)ccc(O)c3)c(CC2O)c(cc1)OC
M END
