Mol:FL5FA9NP0002
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3692 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3692 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3788 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3788 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3207 -0.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3207 -0.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0468 -0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0468 -0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0560 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0560 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3308 0.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3308 0.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7705 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7705 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0697 0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0697 0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7979 0.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7979 0.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7956 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7956 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0941 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0941 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0941 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0941 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3207 -1.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3207 -1.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7613 -0.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7613 -0.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3834 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3834 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8086 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8086 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0697 1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0697 1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7979 2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7979 2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5261 1.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5261 1.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5261 0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5261 0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1994 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1994 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0845 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0845 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4849 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4849 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1994 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1994 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1994 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1994 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4849 2.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4849 2.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7705 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7705 1.6533 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 5 1 0 0 0 0 | + | 7 5 1 0 0 0 0 |
| − | 2 8 2 0 0 0 0 | + | 2 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 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 1 2 0 0 0 0 | + | 11 1 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 3 13 2 0 0 0 0 | + | 3 13 2 0 0 0 0 |
| − | 4 14 1 0 0 0 0 | + | 4 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 12 16 1 0 0 0 0 | + | 12 16 1 0 0 0 0 |
| − | 8 17 1 0 0 0 0 | + | 8 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 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 9 1 0 0 0 0 | + | 20 9 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 7 23 2 0 0 0 0 | + | 7 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 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 7 1 0 0 0 0 | + | 27 7 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FA9NP0002 | + | ID FL5FA9NP0002 |
| − | KNApSAcK_ID C00013532 | + | KNApSAcK_ID C00013532 |
| − | NAME 3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one | + | NAME 3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| − | CAS_RN 329014-32-6 | + | CAS_RN 329014-32-6 |
| − | FORMULA C22H20O5 | + | FORMULA C22H20O5 |
| − | EXACTMASS 364.13107375 | + | EXACTMASS 364.13107375 |
| − | AVERAGEMASS 364.3912 | + | AVERAGEMASS 364.3912 |
| − | SMILES c(c1)ccc(C(O4)=C(OC)C(=O)c(c42)c(cc(O3)c2C=CC3(C)C)OC)c1 | + | SMILES c(c1)ccc(C(O4)=C(OC)C(=O)c(c42)c(cc(O3)c2C=CC3(C)C)OC)c1 |
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 30 0 0 0 0 0 0 0 0999 V2000
-0.3692 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3788 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3207 -0.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0468 -0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0560 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3308 0.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7705 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0697 0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7979 0.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7956 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0941 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0941 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3207 -1.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7613 -0.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3834 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8086 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0697 1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7979 2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5261 1.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5261 0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1994 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0845 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4849 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1994 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1994 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4849 2.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7705 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 5 1 0 0 0 0
2 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 1 2 0 0 0 0
11 12 1 0 0 0 0
3 13 2 0 0 0 0
4 14 1 0 0 0 0
14 15 1 0 0 0 0
12 16 1 0 0 0 0
8 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 9 1 0 0 0 0
19 21 1 0 0 0 0
19 22 1 0 0 0 0
7 23 2 0 0 0 0
23 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 7 1 0 0 0 0
S SKP 8
ID FL5FA9NP0002
KNApSAcK_ID C00013532
NAME 3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
CAS_RN 329014-32-6
FORMULA C22H20O5
EXACTMASS 364.13107375
AVERAGEMASS 364.3912
SMILES c(c1)ccc(C(O4)=C(OC)C(=O)c(c42)c(cc(O3)c2C=CC3(C)C)OC)c1
M END
