Mol:FL2FA9NC0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6796 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6796 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -0.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -0.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -1.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 -0.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 -0.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5672 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5672 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0161 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0161 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5994 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5994 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5994 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5994 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0161 1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0161 1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5672 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5672 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1495 1.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1495 1.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5597 -1.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5597 -1.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8452 -1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8452 -1.9156 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 0 0 0 0 | + | 9 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 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 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 30 -8.5263 5.3179 | + | M SBV 1 30 -8.5263 5.3179 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NC0003 | + | ID FL2FA9NC0003 |
| − | KNApSAcK_ID C00008181 | + | KNApSAcK_ID C00008181 |
| − | NAME 5-O-Methylchamanetin | + | NAME 5-O-Methylchamanetin |
| − | CAS_RN 100348-95-6 | + | CAS_RN 100348-95-6 |
| − | FORMULA C23H20O5 | + | FORMULA C23H20O5 |
| − | EXACTMASS 376.13107375 | + | EXACTMASS 376.13107375 |
| − | AVERAGEMASS 376.4019 | + | AVERAGEMASS 376.4019 |
| − | SMILES c(c4)(cccc4)C(O1)CC(=O)c(c(OC)2)c(c(Cc(c3)c(ccc3)O)c(c2)O)1 | + | SMILES c(c4)(cccc4)C(O1)CC(=O)c(c(OC)2)c(c(Cc(c3)c(ccc3)O)c(c2)O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.6796 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -0.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 -0.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5672 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0161 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5994 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5994 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0161 1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5672 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1495 1.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5597 -1.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 -1.9156 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 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
6 19 1 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 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
3 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SBV 1 30 -8.5263 5.3179
S SKP 8
ID FL2FA9NC0003
KNApSAcK_ID C00008181
NAME 5-O-Methylchamanetin
CAS_RN 100348-95-6
FORMULA C23H20O5
EXACTMASS 376.13107375
AVERAGEMASS 376.4019
SMILES c(c4)(cccc4)C(O1)CC(=O)c(c(OC)2)c(c(Cc(c3)c(ccc3)O)c(c2)O)1
M END
