Mol:FLIB1LNS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1830 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1830 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0704 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0704 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0422 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0422 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0422 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0422 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5983 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5983 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7393 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7393 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6539 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6539 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5200 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5200 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6540 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6540 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6542 -2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6542 -2.2171 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 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 -0.1162 -0.6069 | + | M SVB 2 23 -0.1162 -0.6069 |
| − | 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 2.0248 -0.8826 | + | M SVB 1 21 2.0248 -0.8826 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB1LNS0004 | + | ID FLIB1LNS0004 |
| − | KNApSAcK_ID C00009537 | + | KNApSAcK_ID C00009537 |
| − | NAME Sativanone;7-Hydroxy-2',4'-dimethoxyisoflavanone | + | NAME Sativanone;7-Hydroxy-2',4'-dimethoxyisoflavanone |
| − | CAS_RN 70561-31-8 | + | CAS_RN 70561-31-8 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c3)cc(OC)c(c3)C(C1)C(=O)c(c2)c(cc(O)c2)O1 | + | SMILES COc(c3)cc(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/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1830 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1830 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0422 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6540 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6542 -2.2171 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
14 19 1 0 0 0 0
19 20 1 0 0 0 0
12 21 1 0 0 0 0
21 22 1 0 0 0 0
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 -0.1162 -0.6069
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 2.0248 -0.8826
S SKP 8
ID FLIB1LNS0004
KNApSAcK_ID C00009537
NAME Sativanone;7-Hydroxy-2',4'-dimethoxyisoflavanone
CAS_RN 70561-31-8
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c3)cc(OC)c(c3)C(C1)C(=O)c(c2)c(cc(O)c2)O1
M END
