Mol:FL1CA9NP0011
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5305 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5305 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5305 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5305 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8160 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8160 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1015 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1015 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1015 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1015 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8160 0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8160 0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3871 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3871 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3871 -1.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3871 -1.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3274 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3274 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0419 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0419 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7563 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7563 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4708 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4708 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1853 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1853 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1853 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1853 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4708 0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4708 0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7563 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7563 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8160 -1.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8160 -1.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4033 -1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4033 -1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3871 0.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3871 0.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3871 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3871 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1015 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1015 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8160 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8160 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1853 0.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1853 0.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2557 1.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2557 1.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2316 1.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2316 1.2245 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 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 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NP0011 | + | ID FL1CA9NP0011 |
| − | KNApSAcK_ID C00014447 | + | KNApSAcK_ID C00014447 |
| − | NAME Cedreprenone;(2E)-1-(5-Hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one | + | NAME Cedreprenone;(2E)-1-(5-Hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one |
| − | CAS_RN 554408-31-0 | + | CAS_RN 554408-31-0 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES COc(c2)c(C(=O)C=Cc(c3)cccc3)c(c1c(O)2)OC(C=C1)(C)C | + | SMILES COc(c2)c(C(=O)C=Cc(c3)cccc3)c(c1c(O)2)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 27 0 0 0 0 0 0 0 0999 V2000
-2.5305 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5305 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8160 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1015 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1015 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8160 0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3871 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3871 -1.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3274 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0419 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7563 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4708 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1853 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1853 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4708 0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7563 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8160 -1.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4033 -1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3871 0.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3871 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1015 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8160 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1853 0.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2557 1.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2316 1.2245 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
4 7 1 0 0 0 0
7 8 2 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 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
3 17 1 0 0 0 0
17 18 1 0 0 0 0
5 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 6 1 0 0 0 0
1 23 1 0 0 0 0
20 24 1 0 0 0 0
20 25 1 0 0 0 0
S SKP 8
ID FL1CA9NP0011
KNApSAcK_ID C00014447
NAME Cedreprenone;(2E)-1-(5-Hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one
CAS_RN 554408-31-0
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES COc(c2)c(C(=O)C=Cc(c3)cccc3)c(c1c(O)2)OC(C=C1)(C)C
M END
