Mol:FL1CDKNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 28 0 0 0 0 0 0 0 0999 V2000 | + | 27 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6887 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6887 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6887 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6887 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1324 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1324 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1324 0.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1324 0.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0198 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0198 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4635 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4635 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0926 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0926 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6487 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6487 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2097 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2097 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7707 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7707 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7707 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7707 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2097 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2097 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6487 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6487 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0198 -1.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0198 -1.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1324 -1.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1324 -1.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6367 0.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6367 0.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5027 1.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5027 1.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0200 0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0200 0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3056 0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3056 0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6367 -0.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6367 -0.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5027 -1.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5027 -1.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0460 0.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0460 0.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5461 1.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5461 1.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4901 1.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4901 1.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9288 2.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9288 2.1533 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 26 27 | + | M SAL 5 2 26 27 |
| − | M SBL 5 1 27 | + | M SBL 5 1 27 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 27 1.4901 1.2547 | + | M SVB 5 27 1.4901 1.2547 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 24 25 | + | M SAL 4 2 24 25 |
| − | M SBL 4 1 25 | + | M SBL 4 1 25 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 25 -3.046 0.9697 | + | M SVB 4 25 -3.046 0.9697 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 23 | + | M SBL 3 1 23 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 23 1.9743 -0.4976 | + | M SVB 3 23 1.9743 -0.4976 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 21 | + | M SBL 2 1 21 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 21 -1.02 0.672 | + | M SVB 2 21 -1.02 0.672 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 19 | + | M SBL 1 1 19 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 19 2.3315 0.6802 | + | M SVB 1 19 2.3315 0.6802 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CDKNS0001 | + | ID FL1CDKNS0001 |
| − | KNApSAcK_ID C00006988 | + | KNApSAcK_ID C00006988 |
| − | NAME 2'-Hydroxy-3,4,5,4',6'-pentamethoxychalcone | + | NAME 2'-Hydroxy-3,4,5,4',6'-pentamethoxychalcone |
| − | CAS_RN 53350-27-9 | + | CAS_RN 53350-27-9 |
| − | FORMULA C20H22O7 | + | FORMULA C20H22O7 |
| − | EXACTMASS 374.136553058 | + | EXACTMASS 374.136553058 |
| − | AVERAGEMASS 374.38448000000005 | + | AVERAGEMASS 374.38448000000005 |
| − | SMILES COc(c(C(=O)C=Cc(c2)cc(OC)c(OC)c2OC)1)cc(cc1O)OC | + | SMILES COc(c(C(=O)C=Cc(c2)cc(OC)c(OC)c2OC)1)cc(cc1O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 28 0 0 0 0 0 0 0 0999 V2000
-2.6887 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6887 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 0.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0198 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4635 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0926 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6487 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2097 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7707 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7707 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2097 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6487 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0198 -1.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 -1.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6367 0.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5027 1.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0200 0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3056 0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6367 -0.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5027 -1.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0460 0.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5461 1.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 1.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9288 2.1533 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
18 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
12 22 1 0 0 0 0
22 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 26 27
M SBL 5 1 27
M SMT 5 OCH3
M SVB 5 27 1.4901 1.2547
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 25
M SMT 4 OCH3
M SVB 4 25 -3.046 0.9697
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 23
M SMT 3 OCH3
M SVB 3 23 1.9743 -0.4976
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 21
M SMT 2 OCH3
M SVB 2 21 -1.02 0.672
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 2.3315 0.6802
S SKP 8
ID FL1CDKNS0001
KNApSAcK_ID C00006988
NAME 2'-Hydroxy-3,4,5,4',6'-pentamethoxychalcone
CAS_RN 53350-27-9
FORMULA C20H22O7
EXACTMASS 374.136553058
AVERAGEMASS 374.38448000000005
SMILES COc(c(C(=O)C=Cc(c2)cc(OC)c(OC)c2OC)1)cc(cc1O)OC
M END
