Mol:FLIB1LNS0012
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 |
| − | -2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.3315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.3315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 1.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 1.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3820 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3820 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6538 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6538 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5199 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5199 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 | + | 8 11 1 1 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 2.0247 -0.8826 | + | M SVB 1 23 2.0247 -0.8826 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB1LNS0012 | + | ID FLIB1LNS0012 |
| − | KNApSAcK_ID C00009960 | + | KNApSAcK_ID C00009960 |
| − | NAME (3R)-7,2',3'-Trihydroxy-4'-methoxyisoflavanone | + | NAME (3R)-7,2',3'-Trihydroxy-4'-methoxyisoflavanone |
| − | CAS_RN 122587-88-6 | + | CAS_RN 122587-88-6 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES COc(c3)c(O)c(O)c(c3)[C@H](C1)C(=O)c(c2)c(cc(O)c2)O1 | + | SMILES COc(c3)c(O)c(O)c(c3)[C@H](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
-2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.3315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0421 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 1.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3820 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 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 1 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
1 2 1 0 0 0 0
1 17 1 0 0 0 0
7 18 2 0 0 0 0
16 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 2.0247 -0.8826
S SKP 8
ID FLIB1LNS0012
KNApSAcK_ID C00009960
NAME (3R)-7,2',3'-Trihydroxy-4'-methoxyisoflavanone
CAS_RN 122587-88-6
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)c(O)c(O)c(c3)[C@H](C1)C(=O)c(c2)c(cc(O)c2)O1
M END
