Mol:FL1CRTNP0003
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 |
| − | -3.4988 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4988 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4988 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4988 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7844 -0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7844 -0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0699 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0699 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0699 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0699 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7844 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7844 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2113 1.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2113 1.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3600 -0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3600 -0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6746 0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6746 0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3600 -0.9967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3600 -0.9967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0266 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0266 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7408 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7408 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4553 -0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4553 -0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1698 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1698 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1698 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1698 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4553 1.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4553 1.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7408 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7408 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4553 -0.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4553 -0.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8213 -1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8213 -1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8843 -0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8843 -0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5987 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5987 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5987 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5987 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8843 1.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8843 1.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2113 1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2113 1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2079 0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2079 0.5757 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 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 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 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CRTNP0003 | + | ID FL1CRTNP0003 |
| − | KNApSAcK_ID C00014469 | + | KNApSAcK_ID C00014469 |
| − | NAME Licoagrochalcone B;6'',6''-Dimethylpyrano[2'',3'':4,3]-4'-hydroxy-2-methoxychalcone | + | NAME Licoagrochalcone B;6'',6''-Dimethylpyrano[2'',3'':4,3]-4'-hydroxy-2-methoxychalcone |
| − | CAS_RN 325144-67-0 | + | CAS_RN 325144-67-0 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES COc(c12)c(C=CC(=O)c(c3)ccc(O)c3)ccc1OC(C=C2)(C)C | + | SMILES COc(c12)c(C=CC(=O)c(c3)ccc(O)c3)ccc1OC(C=C2)(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
-3.4988 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4988 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7844 -0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0699 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0699 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7844 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2113 1.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3600 -0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6746 0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3600 -0.9967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0266 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7408 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4553 -0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4553 1.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7408 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4553 -0.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8213 -1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8843 -0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5987 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5987 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8843 1.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2113 1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2079 0.5757 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 1 0 0 0 0
8 10 2 0 0 0 0
9 11 2 0 0 0 0
11 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
18 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 15 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
S SKP 8
ID FL1CRTNP0003
KNApSAcK_ID C00014469
NAME Licoagrochalcone B;6'',6''-Dimethylpyrano[2'',3'':4,3]-4'-hydroxy-2-methoxychalcone
CAS_RN 325144-67-0
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES COc(c12)c(C=CC(=O)c(c3)ccc(O)c3)ccc1OC(C=C2)(C)C
M END
