Mol:FL2FA9NC0002
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 |
| − | -1.6796 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6796 -0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 0.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 0.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 1.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 1.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -1.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -1.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -1.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 0.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 0.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5672 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5672 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0435 0.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0435 0.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4802 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4802 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4802 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4802 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0435 1.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0435 1.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5672 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5672 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0899 1.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0899 1.8980 0.0000 O 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 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 FL2FA9NC0002 | + | ID FL2FA9NC0002 |
| − | KNApSAcK_ID C00008179 | + | KNApSAcK_ID C00008179 |
| − | NAME Chamanetin | + | NAME Chamanetin |
| − | CAS_RN 58801-43-7 | + | CAS_RN 58801-43-7 |
| − | FORMULA C22H18O5 | + | FORMULA C22H18O5 |
| − | EXACTMASS 362.115423686 | + | EXACTMASS 362.115423686 |
| − | AVERAGEMASS 362.37532000000004 | + | AVERAGEMASS 362.37532000000004 |
| − | SMILES C(=O)(c12)CC(c(c4)cccc4)Oc1c(Cc(c3)c(ccc3)O)c(cc2O)O | + | SMILES C(=O)(c12)CC(c(c4)cccc4)Oc1c(Cc(c3)c(ccc3)O)c(cc2O)O |
M END | M END | ||
| − | |||
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
-1.6796 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 0.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -1.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5672 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0435 0.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4802 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4802 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0435 1.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5672 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0899 1.8980 0.0000 O 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 8
ID FL2FA9NC0002
KNApSAcK_ID C00008179
NAME Chamanetin
CAS_RN 58801-43-7
FORMULA C22H18O5
EXACTMASS 362.115423686
AVERAGEMASS 362.37532000000004
SMILES C(=O)(c12)CC(c(c4)cccc4)Oc1c(Cc(c3)c(ccc3)O)c(cc2O)O
M END
