Mol:FL4DCANS0003
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 |
| − | -2.1973 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1973 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4847 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4847 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1941 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1941 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4774 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4774 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7647 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7647 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7684 0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7684 0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0484 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0484 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6642 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6642 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6605 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6605 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0557 0.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0557 0.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3143 0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3143 0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0304 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0304 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7432 0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7432 0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7401 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7401 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0240 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0240 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3111 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3111 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0474 -1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0474 -1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4774 -1.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4774 -1.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7897 0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7897 0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3892 2.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3892 2.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4895 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4895 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2040 -2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2040 -2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4895 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4895 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7750 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7750 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3892 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3892 0.4203 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 6 0 0 0 | + | 9 11 1 6 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 21 1 6 0 0 0 | + | 8 21 1 6 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 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DCANS0003 | + | ID FL4DCANS0003 |
| − | KNApSAcK_ID C00014376 | + | KNApSAcK_ID C00014376 |
| − | NAME (2R,3S)-5,4'-Dihydroxy-7-methoxy-3-O-acetylflavanone | + | NAME (2R,3S)-5,4'-Dihydroxy-7-methoxy-3-O-acetylflavanone |
| − | CAS_RN 140614-82-0 | + | CAS_RN 140614-82-0 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c21)(O)cc(OC)cc(OC(c(c3)ccc(O)c3)C(C2=O)OC(C)=O)1 | + | SMILES c(c21)(O)cc(OC)cc(OC(c(c3)ccc(O)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
-2.1973 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4847 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4774 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7647 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7684 0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0484 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6642 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6605 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0557 0.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3143 0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0304 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7432 0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7401 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0240 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3111 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0474 -1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4774 -1.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7897 0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3892 2.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4895 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4895 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7750 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3892 0.4203 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 6 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 21 1 6 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
21 23 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
19 25 1 0 0 0 0
S SKP 8
ID FL4DCANS0003
KNApSAcK_ID C00014376
NAME (2R,3S)-5,4'-Dihydroxy-7-methoxy-3-O-acetylflavanone
CAS_RN 140614-82-0
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c21)(O)cc(OC)cc(OC(c(c3)ccc(O)c3)C(C2=O)OC(C)=O)1
M END
