Mol:FL2FALNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2817 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2817 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7608 -0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7608 -0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2399 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2399 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2399 -0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2399 -0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7608 0.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7608 0.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2817 -0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2817 -0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7190 -0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7190 -0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1981 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1981 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1981 -0.0166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1981 -0.0166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.7190 0.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7190 0.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3222 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3222 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7190 -1.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7190 -1.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8566 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8566 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3910 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3910 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3910 0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3910 0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8566 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8566 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3222 0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3222 0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7608 -1.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7608 -1.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9244 1.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9244 1.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6389 0.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6389 0.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6389 0.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6389 0.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1388 1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1388 1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4089 -0.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4089 -0.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1233 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1233 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0350 1.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0350 1.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5350 2.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5350 2.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 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 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 17 25 1 0 0 0 0 | + | 17 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 25 26 | + | M SAL 4 2 25 26 |
| − | M SBL 4 1 27 | + | M SBL 4 1 27 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 27 -0.035 1.5196 | + | M SVB 4 27 -0.035 1.5196 |
| − | 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 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 0.4089 -0.1786 | + | M SVB 3 25 0.4089 -0.1786 |
| − | 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 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -2.6389 0.6022 | + | M SVB 2 23 -2.6389 0.6022 |
| − | 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 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 1.9244 1.2089 | + | M SVB 1 21 1.9244 1.2089 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNS0005 | + | ID FL2FALNS0005 |
| − | KNApSAcK_ID C00008535 | + | KNApSAcK_ID C00008535 |
| − | NAME Heteroflavanone A | + | NAME Heteroflavanone A |
| − | CAS_RN 151171-28-7 | + | CAS_RN 151171-28-7 |
| − | FORMULA C19H20O7 | + | FORMULA C19H20O7 |
| − | EXACTMASS 360.120902994 | + | EXACTMASS 360.120902994 |
| − | AVERAGEMASS 360.3579 | + | AVERAGEMASS 360.3579 |
| − | SMILES c(c21)(O)cc(OC)cc(OC(c(c(OC)3)c(OC)cc(OC)c3)CC2=O)1 | + | SMILES c(c21)(O)cc(OC)cc(OC(c(c(OC)3)c(OC)cc(OC)c3)CC2=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.2817 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 -0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2399 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2399 -0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 0.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2817 -0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7190 -0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1981 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1981 -0.0166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7190 0.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3222 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7190 -1.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8566 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8566 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3222 0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 -1.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9244 1.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6389 0.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6389 0.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1388 1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4089 -0.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1233 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0350 1.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5350 2.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
15 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
13 23 1 0 0 0 0
23 24 1 0 0 0 0
17 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 -0.035 1.5196
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 0.4089 -0.1786
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.6389 0.6022
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 1.9244 1.2089
S SKP 8
ID FL2FALNS0005
KNApSAcK_ID C00008535
NAME Heteroflavanone A
CAS_RN 151171-28-7
FORMULA C19H20O7
EXACTMASS 360.120902994
AVERAGEMASS 360.3579
SMILES c(c21)(O)cc(OC)cc(OC(c(c(OC)3)c(OC)cc(OC)c3)CC2=O)1
M END
