Mol:FL4DF8NS0003
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 |
| − | -1.8744 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8744 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1617 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1617 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8712 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8712 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1544 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1544 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4418 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4418 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4454 0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4454 0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2745 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2745 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9872 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9872 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9835 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9835 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2672 0.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2672 0.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6373 0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6373 0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3533 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3533 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0662 0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0662 0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0630 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0630 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3470 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3470 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6341 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6341 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2756 -1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2756 -1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1544 -1.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1544 -1.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4668 0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4668 0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8125 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8125 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5270 -2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5270 -2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8125 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8125 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0980 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0980 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0662 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0662 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3533 -0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3533 -0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1617 1.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1617 1.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8423 1.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8423 1.9485 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 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 12 25 1 0 0 0 0 | + | 12 25 1 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DF8NS0003 | + | ID FL4DF8NS0003 |
| − | KNApSAcK_ID C00014377 | + | KNApSAcK_ID C00014377 |
| − | NAME (2R,3R)-5,2'-Dihydroxy-7,8-dimethoxy-3-O-acetylflavanone | + | NAME (2R,3R)-5,2'-Dihydroxy-7,8-dimethoxy-3-O-acetylflavanone |
| − | CAS_RN 364367-60-2 | + | CAS_RN 364367-60-2 |
| − | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
| − | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
| − | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
| − | SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c3)c(O)ccc3)C2OC(C)=O)1)O | + | SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c3)c(O)ccc3)C2OC(C)=O)1)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
-1.8744 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1617 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8712 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1544 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4418 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4454 0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2745 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9872 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9835 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2672 0.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6373 0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3533 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0662 0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0630 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3470 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6341 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2756 -1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1544 -1.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4668 0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8125 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5270 -2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8125 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0980 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0662 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3533 -0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1617 1.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8423 1.9485 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 20 1 1 0 0 0
1 19 1 0 0 0 0
20 22 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
19 24 1 0 0 0 0
12 25 1 0 0 0 0
2 26 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 8
ID FL4DF8NS0003
KNApSAcK_ID C00014377
NAME (2R,3R)-5,2'-Dihydroxy-7,8-dimethoxy-3-O-acetylflavanone
CAS_RN 364367-60-2
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c3)c(O)ccc3)C2OC(C)=O)1)O
M END
