Mol:FL1C1ANI0010
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 26 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.8236 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8236 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8236 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8236 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9362 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9362 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9362 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9362 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4334 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4334 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1229 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1229 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9895 -1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9895 -1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5504 -0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5504 -0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9895 -1.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9895 -1.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5504 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5504 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1030 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6557 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6557 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6557 -0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6557 -0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1030 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1030 -1.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 -1.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1030 0.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 0.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6557 0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6557 0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6557 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6557 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2070 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2070 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1043 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1043 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4925 0.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4925 0.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2070 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2070 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0129 0.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0129 0.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5129 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5129 1.1747 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 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 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 5 23 1 0 0 0 0 | + | 5 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -3.0129 0.3087 | + | M SVB 2 26 -3.0129 0.3087 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 2.4925 0.0028 | + | M SVB 1 24 2.4925 0.0028 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0010 | + | ID FL1C1ANI0010 |
| − | KNApSAcK_ID C00007071 | + | KNApSAcK_ID C00007071 |
| − | NAME 4'-O-Methylbavachalcone | + | NAME 4'-O-Methylbavachalcone |
| − | CAS_RN 41682-53-5 | + | CAS_RN 41682-53-5 |
| − | FORMULA C22H24O4 | + | FORMULA C22H24O4 |
| − | EXACTMASS 352.167459256 | + | EXACTMASS 352.167459256 |
| − | AVERAGEMASS 352.42356 | + | AVERAGEMASS 352.42356 |
| − | SMILES C(=O)(C=Cc(c2)ccc(c2)OC)c(c1)c(cc(OC)c1CC=C(C)C)O | + | SMILES C(=O)(C=Cc(c2)ccc(c2)OC)c(c1)c(cc(OC)c1CC=C(C)C)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 0 0 0 0 0 0999 V2000
0.8236 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8236 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9362 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9362 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4334 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1229 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9895 -1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5504 -0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9895 -1.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5504 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 -0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 -1.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 0.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2070 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1043 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4925 0.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2070 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0129 0.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5129 1.1747 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
17 16 1 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
5 23 1 0 0 0 0
23 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -3.0129 0.3087
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 2.4925 0.0028
S SKP 8
ID FL1C1ANI0010
KNApSAcK_ID C00007071
NAME 4'-O-Methylbavachalcone
CAS_RN 41682-53-5
FORMULA C22H24O4
EXACTMASS 352.167459256
AVERAGEMASS 352.42356
SMILES C(=O)(C=Cc(c2)ccc(c2)OC)c(c1)c(cc(OC)c1CC=C(C)C)O
M END
