Mol:FL3FA9ND0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7145 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -2.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -2.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -2.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -2.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8158 1.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8158 1.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1514 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1514 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9719 2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9719 2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1514 2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1514 2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6117 2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6117 2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3264 1.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3264 1.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5877 1.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5877 1.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 0.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.4950 0.0000 H 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 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 16 4 2 0 0 0 0 | + | 16 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 2 1 0 0 0 0 | + | 8 2 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 5 15 2 0 0 0 0 | + | 5 15 2 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 17 1 0 0 0 0 | + | 23 17 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 24 29 2 0 0 0 0 | + | 24 29 2 0 0 0 0 |
| − | 20 30 1 6 0 0 0 | + | 20 30 1 6 0 0 0 |
| − | 21 31 1 6 0 0 0 | + | 21 31 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9ND0001 | + | ID FL3FA9ND0001 |
| − | KNApSAcK_ID C00013471 | + | KNApSAcK_ID C00013471 |
| − | NAME Stachyoidin;(8aR,11aR)-rel-(-)-8a,11a-Dihydro-5-methoxy-10,10-dimethyl-2-phenyl-4H,8H-furo[3,2-d]benzo[1,2-b:3,4-b']dipyran-4,11(10H)-dione | + | NAME Stachyoidin;(8aR,11aR)-rel-(-)-8a,11a-Dihydro-5-methoxy-10,10-dimethyl-2-phenyl-4H,8H-furo[3,2-d]benzo[1,2-b:3,4-b']dipyran-4,11(10H)-dione |
| − | CAS_RN 35820-34-9 | + | CAS_RN 35820-34-9 |
| − | FORMULA C23H20O6 | + | FORMULA C23H20O6 |
| − | EXACTMASS 392.125988372 | + | EXACTMASS 392.125988372 |
| − | AVERAGEMASS 392.4013 | + | AVERAGEMASS 392.4013 |
| − | SMILES C(C)(C)(O1)C(=O)C(c52)([H])C([H])(COc(cc(OC)c(c53)C(C=C(c(c4)cccc4)O3)=O)2)1 | + | SMILES C(C)(C)(O1)C(=O)C(c52)([H])C([H])(COc(cc(OC)c(c53)C(C=C(c(c4)cccc4)O3)=O)2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-0.7145 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -2.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8158 1.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1514 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9719 2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1514 2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6117 2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3264 1.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5877 1.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 17 2 0 0 0 0
16 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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 9 1 0 0 0 0
5 15 2 0 0 0 0
17 16 1 0 0 0 0
4 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 17 1 0 0 0 0
20 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
24 29 2 0 0 0 0
20 30 1 6 0 0 0
21 31 1 6 0 0 0
S SKP 8
ID FL3FA9ND0001
KNApSAcK_ID C00013471
NAME Stachyoidin;(8aR,11aR)-rel-(-)-8a,11a-Dihydro-5-methoxy-10,10-dimethyl-2-phenyl-4H,8H-furo[3,2-d]benzo[1,2-b:3,4-b']dipyran-4,11(10H)-dione
CAS_RN 35820-34-9
FORMULA C23H20O6
EXACTMASS 392.125988372
AVERAGEMASS 392.4013
SMILES C(C)(C)(O1)C(=O)C(c52)([H])C([H])(COc(cc(OC)c(c53)C(C=C(c(c4)cccc4)O3)=O)2)1
M END
