Mol:FL1DDCNS0001
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 |
| − | -2.2172 -0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2172 -0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2172 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2172 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5028 -1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5028 -1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7883 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7883 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7883 -0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7883 -0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5028 0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5028 0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0283 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0283 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6701 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6701 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0283 -2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0283 -2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6701 -0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6701 -0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3861 0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3861 0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1006 -0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1006 -0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8151 0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8151 0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8151 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8151 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1006 1.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1006 1.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3861 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3861 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1122 0.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1122 0.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8500 0.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8500 0.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4282 -0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4282 -0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5028 -2.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5028 -2.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4282 1.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4282 1.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0926 2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0926 2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2721 2.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2721 2.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2040 -2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2040 -2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1122 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1122 1.1358 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 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 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 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 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 17 25 1 0 0 0 0 | + | 17 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DDCNS0001 | + | ID FL1DDCNS0001 |
| − | KNApSAcK_ID C00014608 | + | KNApSAcK_ID C00014608 |
| − | NAME 2',4',6'-Trimethoxy-3,4-methylenedioxydihydrochalcone | + | NAME 2',4',6'-Trimethoxy-3,4-methylenedioxydihydrochalcone |
| − | CAS_RN 622851-66-5 | + | CAS_RN 622851-66-5 |
| − | FORMULA C19H20O6 | + | FORMULA C19H20O6 |
| − | EXACTMASS 344.125988372 | + | EXACTMASS 344.125988372 |
| − | AVERAGEMASS 344.3585 | + | AVERAGEMASS 344.3585 |
| − | SMILES c(O3)(c1)c(OC3)ccc(CCC(c(c(OC)2)c(OC)cc(OC)c2)=O)1 | + | SMILES c(O3)(c1)c(OC3)ccc(CCC(c(c(OC)2)c(OC)cc(OC)c2)=O)1 |
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
-2.2172 -0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2172 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5028 -1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7883 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7883 -0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5028 0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6701 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 -2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6701 -0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3861 0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1006 -0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8151 0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8151 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1006 1.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3861 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1122 0.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8500 0.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4282 -0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5028 -2.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4282 1.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0926 2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2721 2.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2040 -2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1122 1.1358 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 1 0 0 0 0
7 9 2 0 0 0 0
8 10 1 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
5 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 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
20 24 1 0 0 0 0
17 25 1 0 0 0 0
S SKP 8
ID FL1DDCNS0001
KNApSAcK_ID C00014608
NAME 2',4',6'-Trimethoxy-3,4-methylenedioxydihydrochalcone
CAS_RN 622851-66-5
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES c(O3)(c1)c(OC3)ccc(CCC(c(c(OC)2)c(OC)cc(OC)c2)=O)1
M END
