Mol:FL1CE9NS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9517 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9517 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9517 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9517 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3953 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3953 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8390 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8390 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8390 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8390 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3953 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3953 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2827 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2827 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2736 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2736 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8297 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8297 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9467 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9467 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5077 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5077 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5077 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5077 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9467 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9467 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2827 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2827 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5077 0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5077 0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0270 0.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0270 0.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8318 -0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8318 -0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1173 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1173 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1173 1.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1173 1.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6808 2.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6808 2.1151 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 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 -1.1173 1.2154 | + | M SVB 2 22 -1.1173 1.2154 |
| − | 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 -1.8318 -0.8029 | + | M SVB 1 20 -1.8318 -0.8029 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CE9NS0002 | + | ID FL1CE9NS0002 |
| − | KNApSAcK_ID C00006960 | + | KNApSAcK_ID C00006960 |
| − | NAME 2',4'-Dihydroxy-3',6'-dimethoxychalcone | + | NAME 2',4'-Dihydroxy-3',6'-dimethoxychalcone |
| − | CAS_RN 54299-50-2 | + | CAS_RN 54299-50-2 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c1)c(C(=O)C=Cc(c2)cccc2)c(O)c(OC)c(O)1 | + | SMILES COc(c1)c(C(=O)C=Cc(c2)cccc2)c(O)c(OC)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-1.9517 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9517 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2736 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8297 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5077 0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0270 0.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8318 -0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1173 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1173 1.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6808 2.1151 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
3 19 1 0 0 0 0
19 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
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 -1.1173 1.2154
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 -1.8318 -0.8029
S SKP 8
ID FL1CE9NS0002
KNApSAcK_ID C00006960
NAME 2',4'-Dihydroxy-3',6'-dimethoxychalcone
CAS_RN 54299-50-2
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c1)c(C(=O)C=Cc(c2)cccc2)c(O)c(OC)c(O)1
M END
