Mol:FL2F2CNP0002
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 |
| − | -2.5036 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5036 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4850 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4850 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7078 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7078 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0530 -0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0530 -0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0388 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0388 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7645 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7645 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2981 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2981 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3757 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3757 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3665 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3665 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3174 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3174 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0810 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0810 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7721 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7721 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4795 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4795 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5084 1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5084 1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7921 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7921 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0718 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0718 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2981 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2981 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2229 1.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2229 1.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8931 1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8931 1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1763 0.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1763 0.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8855 0.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8855 0.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7950 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7950 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5647 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5647 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3037 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3037 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2872 0.5280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2872 0.5280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7654 1.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7654 1.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8931 1.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8931 1.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1175 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1175 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7896 -0.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7896 -0.6744 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 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 1 1 0 0 0 0 | + | 25 1 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 2 28 1 0 0 0 0 | + | 2 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F2CNP0002 | + | ID FL2F2CNP0002 |
| − | KNApSAcK_ID C00014244 | + | KNApSAcK_ID C00014244 |
| − | NAME Ponganone IV;(2S)-6,3',4'-Trimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone | + | NAME Ponganone IV;(2S)-6,3',4'-Trimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| − | CAS_RN 142608-90-0 | + | CAS_RN 142608-90-0 |
| − | FORMULA C23H24O6 | + | FORMULA C23H24O6 |
| − | EXACTMASS 396.1572885 | + | EXACTMASS 396.1572885 |
| − | AVERAGEMASS 396.43306 | + | AVERAGEMASS 396.43306 |
| − | SMILES c(C(O2)CC(c(c4)c(c(c(c4OC)3)C=CC(O3)(C)C)2)=O)(c1)cc(c(c1)OC)OC | + | SMILES c(C(O2)CC(c(c4)c(c(c(c4OC)3)C=CC(O3)(C)C)2)=O)(c1)cc(c(c1)OC)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/
29 32 0 0 0 0 0 0 0 0999 V2000
-2.5036 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4850 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7078 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0530 -0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0388 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7645 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2981 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3757 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3665 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3174 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0810 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7721 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4795 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5084 1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7921 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0718 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2981 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2229 1.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8931 1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1763 0.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8855 0.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7950 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5647 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3037 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2872 0.5280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7654 1.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8931 1.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1175 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7896 -0.6744 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
7 17 2 0 0 0 0
18 14 1 0 0 0 0
18 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 1 1 0 0 0 0
24 26 1 0 0 0 0
24 27 1 0 0 0 0
2 28 1 0 0 0 0
28 29 1 0 0 0 0
S SKP 8
ID FL2F2CNP0002
KNApSAcK_ID C00014244
NAME Ponganone IV;(2S)-6,3',4'-Trimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
CAS_RN 142608-90-0
FORMULA C23H24O6
EXACTMASS 396.1572885
AVERAGEMASS 396.43306
SMILES c(C(O2)CC(c(c4)c(c(c(c4OC)3)C=CC(O3)(C)C)2)=O)(c1)cc(c(c1)OC)OC
M END
