Mol:FL4DABNS0002
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 |
| − | -2.8367 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8367 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1240 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1240 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8335 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8335 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1167 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1167 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4041 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4041 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4077 0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4077 0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6878 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6878 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0249 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0249 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0212 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0212 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6951 0.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6951 0.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6750 0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6750 0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3910 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3910 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1039 0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1039 0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1007 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1007 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3847 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3847 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6718 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6718 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6867 -1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6867 -1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1167 -1.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1167 -1.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4291 0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4291 0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7498 2.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7498 2.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4291 1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4291 1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8502 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8502 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5646 -2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5646 -2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8502 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8502 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1357 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1357 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DABNS0002 | + | ID FL4DABNS0002 |
| − | KNApSAcK_ID C00014375 | + | KNApSAcK_ID C00014375 |
| − | NAME 5,7-Dihydroxy-4'-methoxy-3-O-acetylflavanone | + | NAME 5,7-Dihydroxy-4'-methoxy-3-O-acetylflavanone |
| − | CAS_RN 187522-24-3 | + | CAS_RN 187522-24-3 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c21)(O)cc(O)cc(OC(c(c3)ccc(OC)c3)C(C2=O)OC(C)=O)1 | + | SMILES c(c21)(O)cc(O)cc(OC(c(c3)ccc(OC)c3)C(C2=O)OC(C)=O)1 |
M END | M END | ||
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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
-2.8367 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1240 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8335 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1167 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4041 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4077 0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6878 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0249 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0212 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6951 0.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6750 0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1039 0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1007 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3847 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6718 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6867 -1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1167 -1.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4291 0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7498 2.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4291 1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8502 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5646 -2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8502 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1357 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 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 6 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
4 18 1 0 0 0 0
8 22 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
22 24 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
S SKP 8
ID FL4DABNS0002
KNApSAcK_ID C00014375
NAME 5,7-Dihydroxy-4'-methoxy-3-O-acetylflavanone
CAS_RN 187522-24-3
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c21)(O)cc(O)cc(OC(c(c3)ccc(OC)c3)C(C2=O)OC(C)=O)1
M END
