Mol:FL2FA9NC0001
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 |
| − | -0.8195 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8195 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8195 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8195 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2632 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2632 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2931 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2931 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2931 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2931 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2632 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2632 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8494 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8494 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4057 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4057 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4057 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4057 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8494 0.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8494 0.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9618 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9618 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5288 0.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5288 0.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0958 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0958 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0958 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0958 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5288 1.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5288 1.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9618 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9618 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8494 -1.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8494 -1.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2632 -1.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2632 -1.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3756 0.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3756 0.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3756 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3756 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9409 -0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9409 -0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9409 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9409 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5183 0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5183 0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0958 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0958 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0958 -0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0958 -0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5183 -0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5183 -0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5183 -1.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5183 -1.4874 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 |
| − | 2 20 1 0 0 0 0 | + | 2 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 FL2FA9NC0001 | + | ID FL2FA9NC0001 |
| − | KNApSAcK_ID C00008178 | + | KNApSAcK_ID C00008178 |
| − | NAME Isochamanetin | + | NAME Isochamanetin |
| − | CAS_RN 58777-17-6 | + | CAS_RN 58777-17-6 |
| − | FORMULA C22H18O5 | + | FORMULA C22H18O5 |
| − | EXACTMASS 362.115423686 | + | EXACTMASS 362.115423686 |
| − | AVERAGEMASS 362.37532000000004 | + | AVERAGEMASS 362.37532000000004 |
| − | SMILES O=C(C3)c(c2OC3c(c4)cccc4)c(c(c(c2)O)Cc(c1)c(ccc1)O)O | + | SMILES O=C(C3)c(c2OC3c(c4)cccc4)c(c(c(c2)O)Cc(c1)c(ccc1)O)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
-0.8195 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8195 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2632 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2931 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2931 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2632 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8494 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4057 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4057 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8494 0.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9618 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5288 0.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0958 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0958 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5288 1.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9618 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8494 -1.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2632 -1.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3756 0.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3756 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9409 -0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9409 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5183 0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0958 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0958 -0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5183 -0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5183 -1.4874 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
2 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 FL2FA9NC0001
KNApSAcK_ID C00008178
NAME Isochamanetin
CAS_RN 58777-17-6
FORMULA C22H18O5
EXACTMASS 362.115423686
AVERAGEMASS 362.37532000000004
SMILES O=C(C3)c(c2OC3c(c4)cccc4)c(c(c(c2)O)Cc(c1)c(ccc1)O)O
M END
