Mol:FL1CEANS0001
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 |
| − | -2.3315 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3315 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3315 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3315 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7752 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7752 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2189 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2189 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2189 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2189 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7752 0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7752 0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6626 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6626 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4498 -0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4498 -0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0059 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0059 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5669 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5669 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1279 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1279 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1279 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1279 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5669 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5669 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0059 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0059 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6626 -1.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6626 -1.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7752 -1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7752 -1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6887 0.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6887 0.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3529 0.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3529 0.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5132 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5132 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6887 0.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6887 0.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1886 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1886 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4972 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4972 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0607 2.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0607 2.1496 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 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 -1.4972 1.2499 | + | M SVB 3 24 -1.4972 1.2499 |
| − | 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 -2.6887 0.9745 | + | M SVB 2 22 -2.6887 0.9745 |
| − | 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 -0.6628 0.6768 | + | M SVB 1 20 -0.6628 0.6768 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CEANS0001 | + | ID FL1CEANS0001 |
| − | KNApSAcK_ID C00006979 | + | KNApSAcK_ID C00006979 |
| − | NAME 4,6'-Dihydroxy-2',3',4'-trimethoxychalcone | + | NAME 4,6'-Dihydroxy-2',3',4'-trimethoxychalcone |
| − | CAS_RN 59567-92-9 | + | CAS_RN 59567-92-9 |
| − | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
| − | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
| − | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
| − | SMILES c(c1C(=O)C=Cc(c2)ccc(O)c2)(O)cc(c(c1OC)OC)OC | + | SMILES c(c1C(=O)C=Cc(c2)ccc(O)c2)(O)cc(c(c1OC)OC)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
-2.3315 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3315 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4498 -0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -1.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 -1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6887 0.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3529 0.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5132 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6887 0.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1886 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4972 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0607 2.1496 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
3 17 1 0 0 0 0
13 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
1 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 -1.4972 1.2499
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 -2.6887 0.9745
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 -0.6628 0.6768
S SKP 8
ID FL1CEANS0001
KNApSAcK_ID C00006979
NAME 4,6'-Dihydroxy-2',3',4'-trimethoxychalcone
CAS_RN 59567-92-9
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES c(c1C(=O)C=Cc(c2)ccc(O)c2)(O)cc(c(c1OC)OC)OC
M END
