Mol:FL2F1CNP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5135 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5135 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4949 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4949 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7178 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7178 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0629 -0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0629 -0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0487 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0487 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7744 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7744 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3080 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3080 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3658 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3658 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3566 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3566 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3273 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3273 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0711 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0711 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7622 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7622 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4696 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4696 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4985 1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4985 1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7822 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7822 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0619 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0619 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3080 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3080 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2130 1.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2130 1.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9343 1.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9343 1.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8050 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8050 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5746 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5746 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3136 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3136 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2831 0.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2831 0.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7616 1.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7616 1.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9343 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9343 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1840 0.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1840 0.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8926 0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8926 0.5748 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 |
| − | 6 20 1 0 0 0 0 | + | 6 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 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 1 1 0 0 0 0 | + | 23 1 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 |
| − | 13 26 1 0 0 0 0 | + | 13 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1CNP0003 | + | ID FL2F1CNP0003 |
| − | KNApSAcK_ID C00014233 | + | KNApSAcK_ID C00014233 |
| − | NAME Ponganone III;(2S)-3',4'-Dimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone | + | NAME Ponganone III;(2S)-3',4'-Dimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| − | CAS_RN 142608-89-7 | + | CAS_RN 142608-89-7 |
| − | FORMULA C22H22O5 | + | FORMULA C22H22O5 |
| − | EXACTMASS 366.146723814 | + | EXACTMASS 366.146723814 |
| − | AVERAGEMASS 366.40708000000006 | + | AVERAGEMASS 366.40708000000006 |
| − | SMILES c(c1)(c(OC)cc(C(O2)CC(c(c4)c(c(c(c4)3)C=CC(C)(C)O3)2)=O)c1)OC | + | SMILES c(c1)(c(OC)cc(C(O2)CC(c(c4)c(c(c(c4)3)C=CC(C)(C)O3)2)=O)c1)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/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.5135 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4949 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7178 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0629 -0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0487 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7744 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3080 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3658 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3566 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3273 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0711 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7622 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4696 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4985 1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7822 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0619 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3080 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2130 1.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9343 1.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8050 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5746 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3136 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2831 0.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7616 1.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9343 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1840 0.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8926 0.5748 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
6 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 1 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
13 26 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 8
ID FL2F1CNP0003
KNApSAcK_ID C00014233
NAME Ponganone III;(2S)-3',4'-Dimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
CAS_RN 142608-89-7
FORMULA C22H22O5
EXACTMASS 366.146723814
AVERAGEMASS 366.40708000000006
SMILES c(c1)(c(OC)cc(C(O2)CC(c(c4)c(c(c(c4)3)C=CC(C)(C)O3)2)=O)c1)OC
M END
