Mol:FL1CE8NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 25 0 0 0 0 0 0 0 0999 V2000 | + | 24 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9517 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9517 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9517 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9517 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3953 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3953 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8390 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8390 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8390 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8390 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3953 0.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3953 0.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2827 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2827 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2736 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2736 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8297 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8297 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9467 -0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9467 -0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5077 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5077 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5077 0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5077 0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9467 0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9467 0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2827 -1.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2827 -1.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5077 0.6443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5077 0.6443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0271 0.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0271 0.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5127 -0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5127 -0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2272 -1.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2272 -1.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8318 -0.8008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8318 -0.8008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1173 -1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1173 -1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1173 1.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1173 1.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6808 2.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6808 2.1171 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 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 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 1 2 0 0 0 0 | + | 6 1 2 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 |
| − | 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 |
| − | 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 24 -1.1173 1.2174 | + | M SVB 3 24 -1.1173 1.2174 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -1.8318 -0.8008 | + | M SVB 2 22 -1.8318 -0.8008 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 1.5127 -0.8049 | + | M SVB 1 20 1.5127 -0.8049 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CE8NS0001 | + | ID FL1CE8NS0001 |
| − | KNApSAcK_ID C00006967 | + | KNApSAcK_ID C00006967 |
| − | NAME 2',4'-Dihydroxy-2,3',6'-trimethoxychalcone | + | NAME 2',4'-Dihydroxy-2,3',6'-trimethoxychalcone |
| − | CAS_RN 100079-39-8 | + | CAS_RN 100079-39-8 |
| − | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
| − | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
| − | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
| − | SMILES c(c1O)(OC)c(O)cc(c1C(=O)C=Cc(c2)c(OC)ccc2)OC | + | SMILES c(c1O)(OC)c(O)cc(c1C(=O)C=Cc(c2)c(OC)ccc2)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 0 0 0 0 0 0999 V2000
-1.9517 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9517 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 0.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2736 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8297 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 -0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -1.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5077 0.6443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0271 0.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5127 -0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2272 -1.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8318 -0.8008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1173 -1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1173 1.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6808 2.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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 1 2 0 0 0 0
4 7 1 0 0 0 0
7 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
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 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
5 18 1 0 0 0 0
11 19 1 0 0 0 0
19 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 -1.1173 1.2174
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -1.8318 -0.8008
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 1.5127 -0.8049
S SKP 8
ID FL1CE8NS0001
KNApSAcK_ID C00006967
NAME 2',4'-Dihydroxy-2,3',6'-trimethoxychalcone
CAS_RN 100079-39-8
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES c(c1O)(OC)c(O)cc(c1C(=O)C=Cc(c2)c(OC)ccc2)OC
M END
