Mol:FL1CHYNP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9852 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9852 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9852 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9852 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8726 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8726 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8726 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8726 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3163 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3163 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2400 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2400 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7961 -0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7961 -0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3522 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3522 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9132 -0.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9132 -0.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4742 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4742 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4742 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4742 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9132 0.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9132 0.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3522 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3522 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3163 -1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3163 -1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7961 -1.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7961 -1.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0351 0.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0351 0.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -1.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -1.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9852 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9852 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5415 1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5415 1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5415 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5415 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9572 1.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9572 1.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0351 0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0351 0.7918 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNP0003 | + | ID FL1CHYNP0003 |
| − | KNApSAcK_ID C00007006 | + | KNApSAcK_ID C00007006 |
| − | NAME Glyinflanin B | + | NAME Glyinflanin B |
| − | CAS_RN 142750-23-0 | + | CAS_RN 142750-23-0 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES Oc(c1)ccc(C(CC(c(c3)c(O)cc(c23)OC(C=C2)(C)C)=O)=O)c1 | + | SMILES Oc(c1)ccc(C(CC(c(c3)c(O)cc(c23)OC(C=C2)(C)C)=O)=O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.9852 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9852 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8726 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8726 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3163 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2400 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7961 -0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3522 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9132 -0.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4742 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4742 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9132 0.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3522 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3163 -1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7961 -1.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0351 0.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9852 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5415 1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5415 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9572 1.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0351 0.7918 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 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
9 17 2 0 0 0 0
13 18 1 0 0 0 0
3 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
S SKP 8
ID FL1CHYNP0003
KNApSAcK_ID C00007006
NAME Glyinflanin B
CAS_RN 142750-23-0
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES Oc(c1)ccc(C(CC(c(c3)c(O)cc(c23)OC(C=C2)(C)C)=O)=O)c1
M END
