Mol:FL5F1ANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9356 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9356 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9356 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9356 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3793 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3793 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8230 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8230 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8230 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8230 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3793 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3793 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2667 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2667 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2896 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2896 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2896 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2896 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2667 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2667 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2667 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2667 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8457 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8457 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4127 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4127 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9797 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9797 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9797 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9797 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4127 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4127 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8457 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8457 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8457 -0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8457 -0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4917 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4917 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4917 1.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4917 1.3520 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1ANS0001 | + | ID FL5F1ANS0001 |
| − | KNApSAcK_ID C00004540 | + | KNApSAcK_ID C00004540 |
| − | NAME Resokaempferol | + | NAME Resokaempferol |
| − | CAS_RN 2034-65-3 | + | CAS_RN 2034-65-3 |
| − | FORMULA C15H10O5 | + | FORMULA C15H10O5 |
| − | EXACTMASS 270.05282343 | + | EXACTMASS 270.05282343 |
| − | AVERAGEMASS 270.2369 | + | AVERAGEMASS 270.2369 |
| − | SMILES Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c2)c(cc(O)c2)1 | + | SMILES Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c2)c(cc(O)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.9356 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9356 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3793 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8230 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8230 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3793 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2667 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2667 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2667 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8457 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4127 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9797 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9797 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4127 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8457 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8457 -0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4917 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4917 1.3520 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
S SKP 8
ID FL5F1ANS0001
KNApSAcK_ID C00004540
NAME Resokaempferol
CAS_RN 2034-65-3
FORMULA C15H10O5
EXACTMASS 270.05282343
AVERAGEMASS 270.2369
SMILES Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c2)c(cc(O)c2)1
M END
