Mol:FL1CRTNS0005
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 |
| − | -2.3315 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3315 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3315 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3315 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7752 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7752 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2189 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2189 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2189 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2189 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7752 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7752 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6626 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6626 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4498 -0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4498 -0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0059 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0059 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5669 -0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5669 -0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1279 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1279 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1279 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1279 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5669 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5669 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0059 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0059 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6626 -1.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6626 -1.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6887 0.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6887 0.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4450 0.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4450 0.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6887 1.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6887 1.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1887 1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1887 1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1328 -0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1328 -0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8473 -1.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8473 -1.0797 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 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 11 21 1 0 0 0 0 | + | 11 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 1.1328 -0.6672 | + | M SVB 2 22 1.1328 -0.6672 |
| − | 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 -2.6887 1.0797 | + | M SVB 1 20 -2.6887 1.0797 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CRTNS0005 | + | ID FL1CRTNS0005 |
| − | KNApSAcK_ID C00006939 | + | KNApSAcK_ID C00006939 |
| − | NAME 2,4-Dihydroxy-6,4'-dimethoxychalcone | + | NAME 2,4-Dihydroxy-6,4'-dimethoxychalcone |
| − | CAS_RN 103461-95-6 | + | CAS_RN 103461-95-6 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c2)ccc(c2)C(=O)C=Cc(c(O)1)c(OC)cc(O)c1 | + | SMILES COc(c2)ccc(c2)C(=O)C=Cc(c(O)1)c(OC)cc(O)c1 |
M END | M END | ||
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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
-2.3315 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3315 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4498 -0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 -0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -1.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6887 0.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4450 0.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6887 1.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1887 1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1328 -0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 -1.0797 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
13 17 1 0 0 0 0
15 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
11 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 1.1328 -0.6672
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 -2.6887 1.0797
S SKP 8
ID FL1CRTNS0005
KNApSAcK_ID C00006939
NAME 2,4-Dihydroxy-6,4'-dimethoxychalcone
CAS_RN 103461-95-6
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c2)ccc(c2)C(=O)C=Cc(c(O)1)c(OC)cc(O)c1
M END
