Mol:FL5FA9NN0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 34 0 0 0 0 0 0 0 0999 V2000 | + | 30 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4014 -0.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4014 -0.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4014 -0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4014 -0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8451 -1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8451 -1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2888 -0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2888 -0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2888 -0.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2888 -0.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8451 -0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8451 -0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2675 -1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2675 -1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8238 -0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8238 -0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8238 -0.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8238 -0.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2675 -0.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2675 -0.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2675 -1.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2675 -1.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9469 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9469 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5138 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5138 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5138 0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5138 0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9469 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9469 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8451 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8451 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4014 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4014 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9577 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9577 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9577 -0.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9577 -0.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5138 0.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5138 0.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 -1.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 -1.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2890 0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2890 0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2818 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2818 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8526 0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8526 0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8526 1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8526 1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2818 1.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2818 1.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2890 1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2890 1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8451 -1.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8451 -1.9395 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 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 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 2 0 0 0 0 | + | 20 22 2 0 0 0 0 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FA9NN0001 | + | ID FL5FA9NN0001 |
| − | KNApSAcK_ID C00005073 | + | KNApSAcK_ID C00005073 |
| − | NAME (-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone;(-)-9,10-Dihydro-3,5-dihydroxy-2,10-diphenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4,8-dione | + | NAME (-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone;(-)-9,10-Dihydro-3,5-dihydroxy-2,10-diphenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4,8-dione |
| − | CAS_RN 151193-59-8 | + | CAS_RN 151193-59-8 |
| − | FORMULA C24H16O6 | + | FORMULA C24H16O6 |
| − | EXACTMASS 400.094688244 | + | EXACTMASS 400.094688244 |
| − | AVERAGEMASS 400.38024 | + | AVERAGEMASS 400.38024 |
| − | SMILES c(c5)c(ccc5)C(c41)CC(=O)Oc(cc(c(c34)C(C(=C(O3)c(c2)cccc2)O)=O)O)1 | + | SMILES c(c5)c(ccc5)C(c41)CC(=O)Oc(cc(c(c34)C(C(=C(O3)c(c2)cccc2)O)=O)O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-1.4014 -0.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4014 -0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8451 -1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2888 -0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2888 -0.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8451 -0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2675 -1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8238 -0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8238 -0.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2675 -0.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2675 -1.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9469 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5138 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5138 0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9469 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8451 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4014 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9577 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9577 -0.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5138 0.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 -1.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2890 0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2818 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8526 0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8526 1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2818 1.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2890 1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8451 -1.9395 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
6 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 2 0 0 0 0
8 23 1 0 0 0 0
18 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
3 30 1 0 0 0 0
S SKP 8
ID FL5FA9NN0001
KNApSAcK_ID C00005073
NAME (-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone;(-)-9,10-Dihydro-3,5-dihydroxy-2,10-diphenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4,8-dione
CAS_RN 151193-59-8
FORMULA C24H16O6
EXACTMASS 400.094688244
AVERAGEMASS 400.38024
SMILES c(c5)c(ccc5)C(c41)CC(=O)Oc(cc(c(c34)C(C(=C(O3)c(c2)cccc2)O)=O)O)1
M END
