Mol:FL2FAANP0009
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8526 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8526 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8340 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8340 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0569 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0569 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4020 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4020 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3878 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3878 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1135 0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1135 0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3529 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3529 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0267 -0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0267 -0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0175 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0175 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3336 0.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3336 0.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7320 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7320 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4230 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4230 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1344 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1344 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1549 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1549 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4431 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4431 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7227 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7227 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3529 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3529 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8794 1.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8794 1.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5580 0.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5580 0.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2448 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2448 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2263 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2263 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5209 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5209 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7233 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7233 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8794 -0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8794 -0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0569 -1.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0569 -1.7801 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 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 5 1 0 0 0 0 | + | 10 5 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 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANP0009 | + | ID FL2FAANP0009 |
| − | KNApSAcK_ID C00014230 | + | KNApSAcK_ID C00014230 |
| − | NAME Paratocarpin K;5,4'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone | + | NAME Paratocarpin K;5,4'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| − | CAS_RN 170900-13-7 | + | CAS_RN 170900-13-7 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES C(=O)(C3)c(c2O)c(OC3c(c4)ccc(O)c4)cc(c12)OC(C=C1)(C)C | + | SMILES C(=O)(C3)c(c2O)c(OC3c(c4)ccc(O)c4)cc(c12)OC(C=C1)(C)C |
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 28 0 0 0 0 0 0 0 0999 V2000
-1.8526 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8340 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0569 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4020 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3878 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1135 0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3529 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0267 -0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0175 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3336 0.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4230 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1344 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1549 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4431 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7227 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3529 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8794 1.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5580 0.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2448 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2263 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5209 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7233 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8794 -0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0569 -1.7801 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 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
18 14 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 2 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
3 25 1 0 0 0 0
S SKP 8
ID FL2FAANP0009
KNApSAcK_ID C00014230
NAME Paratocarpin K;5,4'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
CAS_RN 170900-13-7
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES C(=O)(C3)c(c2O)c(OC3c(c4)ccc(O)c4)cc(c12)OC(C=C1)(C)C
M END
