Mol:FL1CCBNP0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.7853 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7853 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7853 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7853 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0708 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0708 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3563 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3563 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3563 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3563 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0708 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0708 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4997 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4997 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6418 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6418 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0726 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0726 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7871 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7871 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7871 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7871 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5016 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5016 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2160 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2160 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9305 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9305 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9305 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9305 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2160 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2160 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5016 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5016 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2160 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2160 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3013 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3013 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6008 0.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6008 0.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3013 0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3013 0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2160 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2160 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5016 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5016 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7871 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7871 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7871 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7871 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2415 1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2415 1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0767 1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0767 1.2534 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 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 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 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 7 19 1 0 0 0 0 | + | 7 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 17 1 0 0 0 0 | + | 25 17 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CCBNP0001 | + | ID FL1CCBNP0001 |
| − | KNApSAcK_ID C00014479 | + | KNApSAcK_ID C00014479 |
| − | NAME 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone | + | NAME 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone |
| − | CAS_RN 143885-77-2 | + | CAS_RN 143885-77-2 |
| − | FORMULA C22H22O5 | + | FORMULA C22H22O5 |
| − | EXACTMASS 366.146723814 | + | EXACTMASS 366.146723814 |
| − | AVERAGEMASS 366.40708000000006 | + | AVERAGEMASS 366.40708000000006 |
| − | SMILES C(=Cc(c3)ccc(c3)OC)C(c(c21)c(cc(OC)c1C=CC(O2)(C)C)O)=O | + | SMILES C(=Cc(c3)ccc(c3)OC)C(c(c21)c(cc(OC)c1C=CC(O2)(C)C)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.7853 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7853 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0708 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3563 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3563 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0708 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4997 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6418 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0726 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7871 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7871 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5016 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2160 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9305 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9305 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2160 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5016 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2160 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3013 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6008 0.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3013 0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2160 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5016 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7871 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7871 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2415 1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0767 1.2534 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
1 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
10 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
13 18 1 0 0 0 0
7 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 17 1 0 0 0 0
24 26 1 0 0 0 0
24 27 1 0 0 0 0
S SKP 8
ID FL1CCBNP0001
KNApSAcK_ID C00014479
NAME 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone
CAS_RN 143885-77-2
FORMULA C22H22O5
EXACTMASS 366.146723814
AVERAGEMASS 366.40708000000006
SMILES C(=Cc(c3)ccc(c3)OC)C(c(c21)c(cc(OC)c1C=CC(O2)(C)C)O)=O
M END
