Mol:FLIB1LNS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1830 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1830 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0704 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0704 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0422 0.5369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0422 0.5369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0422 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0422 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5983 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5983 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7393 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7393 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6539 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6539 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5200 -1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5200 -1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0786 -0.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0786 -0.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4271 -1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4271 -1.4578 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 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 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -0.1162 -0.4015 | + | M SVB 2 24 -0.1162 -0.4015 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 2.0248 -0.6772 | + | M SVB 1 22 2.0248 -0.6772 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB1LNS0008 | + | ID FLIB1LNS0008 |
| − | KNApSAcK_ID C00009542 | + | KNApSAcK_ID C00009542 |
| − | NAME Violanone;7,3'-Dihydroxy-2',4'-dimethoxyisoflavanone | + | NAME Violanone;7,3'-Dihydroxy-2',4'-dimethoxyisoflavanone |
| − | CAS_RN 52250-38-1 | + | CAS_RN 52250-38-1 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c3)c(O)c(OC)c(c3)C(C1)C(=O)c(c2)c(cc(O)c2)O1 | + | SMILES COc(c3)c(O)c(OC)c(c3)C(C1)C(=O)c(c2)c(cc(O)c2)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.1830 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1830 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0422 0.5369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0786 -0.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4271 -1.4578 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
14 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
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -0.1162 -0.4015
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 2.0248 -0.6772
S SKP 8
ID FLIB1LNS0008
KNApSAcK_ID C00009542
NAME Violanone;7,3'-Dihydroxy-2',4'-dimethoxyisoflavanone
CAS_RN 52250-38-1
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c3)c(O)c(OC)c(c3)C(C1)C(=O)c(c2)c(cc(O)c2)O1
M END
