Mol:FL5FAANI0005
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9626 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9626 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 -1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 -1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8500 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8500 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8500 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8500 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2937 -1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2626 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2626 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2626 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2626 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2937 -0.1603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -0.1603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2937 -1.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -1.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8187 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8187 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9527 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9527 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9527 0.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9527 0.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8187 0.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8187 0.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5195 -0.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5195 -0.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8424 -1.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8424 -1.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 -2.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 -2.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5195 0.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5195 0.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9624 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9624 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9624 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9624 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5185 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5185 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9624 2.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9624 2.0871 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANI0005 | + | ID FL5FAANI0005 |
| − | KNApSAcK_ID C00005001 | + | KNApSAcK_ID C00005001 |
| − | NAME Noricaritin | + | NAME Noricaritin |
| − | CAS_RN 5240-95-9 | + | CAS_RN 5240-95-9 |
| − | FORMULA C20H20O7 | + | FORMULA C20H20O7 |
| − | EXACTMASS 372.120902994 | + | EXACTMASS 372.120902994 |
| − | AVERAGEMASS 372.3686 | + | AVERAGEMASS 372.3686 |
| − | SMILES C(C)(C)(O)CCc(c13)c(O)cc(c1C(C(O)=C(O3)c(c2)ccc(O)c2)=O)O | + | SMILES C(C)(C)(O)CCc(c13)c(O)cc(c1C(C(O)=C(O3)c(c2)ccc(O)c2)=O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.9626 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9626 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 -1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 -1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 -0.1603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 -1.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8187 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9527 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9527 0.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8187 0.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5195 -0.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8424 -1.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 -2.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5195 0.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9624 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9624 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5185 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9624 2.0871 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
18 1 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
24 27 1 0 0 0 0
S SKP 8
ID FL5FAANI0005
KNApSAcK_ID C00005001
NAME Noricaritin
CAS_RN 5240-95-9
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES C(C)(C)(O)CCc(c13)c(O)cc(c1C(C(O)=C(O3)c(c2)ccc(O)c2)=O)O
M END
