Mol:FL64A9NP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.3486 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3486 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6380 0.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6380 0.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0726 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0726 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0726 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0726 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6380 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6380 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3486 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3486 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7832 0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7832 0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4938 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4938 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4938 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4938 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7832 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7832 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1304 0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1304 0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0592 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0592 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7698 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7698 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7698 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7698 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0592 0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0592 0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3921 0.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3921 0.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5218 -0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5218 -0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1304 1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1304 1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8261 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8261 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5218 1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5218 1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5218 0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5218 0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8261 0.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8261 0.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6380 -1.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6380 -1.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3525 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3525 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7997 -1.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7997 -1.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5141 -1.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5141 -1.9902 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 |
| − | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 23 1 0 0 0 0 | + | 5 23 1 0 0 0 0 |
| − | 8 11 1 1 0 0 0 | + | 8 11 1 1 0 0 0 |
| − | 10 25 1 0 0 0 0 | + | 10 25 1 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 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 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 1 1 0 0 0 0 | + | 15 1 1 0 0 0 0 |
| − | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 11 18 2 0 0 0 0 | + | 11 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 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 11 1 0 0 0 0 | + | 22 11 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL64A9NP0003 | + | ID FL64A9NP0003 |
| − | KNApSAcK_ID C00013267 | + | KNApSAcK_ID C00013267 |
| − | NAME Xuulanin;2H,(6R,8S)-rel-7,8-Dihydro-5,6-dimethoxy-2,2-dimethyl-8-phenyl-6H-benzo[1,2-b:5,4-b']dipyran | + | NAME Xuulanin;2H,(6R,8S)-rel-7,8-Dihydro-5,6-dimethoxy-2,2-dimethyl-8-phenyl-6H-benzo[1,2-b:5,4-b']dipyran |
| − | CAS_RN 299410-78-9 | + | CAS_RN 299410-78-9 |
| − | FORMULA C22H24O4 | + | FORMULA C22H24O4 |
| − | EXACTMASS 352.167459256 | + | EXACTMASS 352.167459256 |
| − | AVERAGEMASS 352.42356 | + | AVERAGEMASS 352.42356 |
| − | SMILES c(c4)(cccc4)C(O1)CC(c(c2OC)c1cc(O3)c(C=CC3(C)C)2)OC | + | SMILES c(c4)(cccc4)C(O1)CC(c(c2OC)c1cc(O3)c(C=CC3(C)C)2)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
1.3486 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 0.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0726 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0726 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3486 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7832 0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4938 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4938 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7832 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1304 0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0592 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7698 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7698 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0592 0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3921 0.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5218 -0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1304 1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8261 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5218 1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5218 0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8261 0.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 -1.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3525 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7997 -1.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5141 -1.9902 0.0000 C 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 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
5 23 1 0 0 0 0
8 11 1 1 0 0 0
10 25 1 0 0 0 0
6 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 1 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
11 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 11 1 0 0 0 0
23 24 1 0 0 0 0
25 26 1 0 0 0 0
S SKP 8
ID FL64A9NP0003
KNApSAcK_ID C00013267
NAME Xuulanin;2H,(6R,8S)-rel-7,8-Dihydro-5,6-dimethoxy-2,2-dimethyl-8-phenyl-6H-benzo[1,2-b:5,4-b']dipyran
CAS_RN 299410-78-9
FORMULA C22H24O4
EXACTMASS 352.167459256
AVERAGEMASS 352.42356
SMILES c(c4)(cccc4)C(O1)CC(c(c2OC)c1cc(O3)c(C=CC3(C)C)2)OC
M END
