Mol:FL1C1ANP0019
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.2471 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2471 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2471 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2471 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5327 -1.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5327 -1.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8182 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8182 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8182 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8182 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5327 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5327 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1037 -1.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1037 -1.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3892 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3892 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3892 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3892 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1037 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1037 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8739 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8739 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6495 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6495 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7852 -1.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7852 -1.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6524 0.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6524 0.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0694 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0694 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6524 1.1946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6524 1.1946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7314 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7314 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4027 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4027 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4027 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4027 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1172 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1172 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8317 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8317 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8317 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8317 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1172 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1172 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5461 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5461 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2606 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2606 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2606 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2606 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5461 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5461 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8739 -0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8739 -0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7550 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7550 -1.1946 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 1 0 0 0 0 | + | 2 3 1 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 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 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 1 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 8 13 1 0 0 0 0 | + | 8 13 1 0 0 0 0 |
| − | 9 14 1 0 0 0 0 | + | 9 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 14 16 2 0 0 0 0 | + | 14 16 2 0 0 0 0 |
| − | 15 17 2 0 0 0 0 | + | 15 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 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 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANP0019 | + | ID FL1C1ANP0019 |
| − | KNApSAcK_ID C00014467 | + | KNApSAcK_ID C00014467 |
| − | NAME Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',5'][2'',3'':4,3]-2'-hydroxychalcone | + | NAME Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',5'][2'',3'':4,3]-2'-hydroxychalcone |
| − | CAS_RN 216753-67-2 | + | CAS_RN 216753-67-2 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES c(O1)(c4)c(cc(c(O)4)C(=O)C=Cc(c2)ccc(O3)c2CCC3(C)C)CCC(C)(C)1 | + | SMILES c(O1)(c4)c(cc(c(O)4)C(=O)C=Cc(c2)ccc(O3)c2CCC3(C)C)CCC(C)(C)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-4.2471 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2471 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5327 -1.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8182 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8182 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5327 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1037 -1.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3892 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3892 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1037 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8739 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6495 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7852 -1.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6524 0.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0694 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6524 1.1946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7314 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4027 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4027 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1172 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8317 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8317 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1172 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5461 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2606 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2606 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5461 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8739 -0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7550 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 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 1 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 2 0 0 0 0
10 5 1 0 0 0 0
2 11 1 0 0 0 0
2 12 1 0 0 0 0
8 13 1 0 0 0 0
9 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
15 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 18 1 0 0 0 0
21 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
25 29 1 0 0 0 0
S SKP 8
ID FL1C1ANP0019
KNApSAcK_ID C00014467
NAME Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',5'][2'',3'':4,3]-2'-hydroxychalcone
CAS_RN 216753-67-2
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES c(O1)(c4)c(cc(c(O)4)C(=O)C=Cc(c2)ccc(O3)c2CCC3(C)C)CCC(C)(C)1
M END
