Mol:FLIA1LNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3617 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3617 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3617 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3617 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8054 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8054 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2491 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2491 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2491 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2491 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8054 0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8054 0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6928 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1365 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1365 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1365 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1365 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6928 0.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 0.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4196 -0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4196 -0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4196 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4196 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0144 -1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0144 -1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6092 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6092 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6092 -0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6092 -0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0144 -0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0144 -0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6928 -1.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 -1.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9178 0.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9178 0.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2034 -1.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2034 -1.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0144 0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0144 0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6074 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6074 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6074 1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6074 1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1992 1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1992 1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0156 1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0156 1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6074 1.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6074 1.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1746 -1.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1746 -1.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2034 -0.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2034 -0.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9178 -0.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9178 -0.9243 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 29 -4.4859 4.1847 | + | M SBV 1 29 -4.4859 4.1847 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1LNI0003 | + | ID FLIA1LNI0003 |
| − | KNApSAcK_ID C00009870 | + | KNApSAcK_ID C00009870 |
| − | NAME Kwakhurin hydrate;7,4',6'-Trihydroxy-3'-methoxy-2'-(3-hydroxy-3-methylbutyl)isoflavone | + | NAME Kwakhurin hydrate;7,4',6'-Trihydroxy-3'-methoxy-2'-(3-hydroxy-3-methylbutyl)isoflavone |
| − | CAS_RN 111922-30-6 | + | CAS_RN 111922-30-6 |
| − | FORMULA C21H22O7 | + | FORMULA C21H22O7 |
| − | EXACTMASS 386.136553058 | + | EXACTMASS 386.136553058 |
| − | AVERAGEMASS 386.39518 | + | AVERAGEMASS 386.39518 |
| − | SMILES C(C)(C)(O)CCc(c1C(C2=O)=COc(c3)c(ccc(O)3)2)c(c(O)cc1O)OC | + | SMILES C(C)(C)(O)CCc(c1C(C2=O)=COc(c3)c(ccc(O)3)2)c(c(O)cc1O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.3617 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3617 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 0.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 -0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 -1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 -0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 -0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 -1.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9178 0.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2034 -1.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6074 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6074 1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1992 1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0156 1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6074 1.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1746 -1.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2034 -0.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9178 -0.9243 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 2 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
1 2 1 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
16 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
12 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SBV 1 29 -4.4859 4.1847
S SKP 8
ID FLIA1LNI0003
KNApSAcK_ID C00009870
NAME Kwakhurin hydrate;7,4',6'-Trihydroxy-3'-methoxy-2'-(3-hydroxy-3-methylbutyl)isoflavone
CAS_RN 111922-30-6
FORMULA C21H22O7
EXACTMASS 386.136553058
AVERAGEMASS 386.39518
SMILES C(C)(C)(O)CCc(c1C(C2=O)=COc(c3)c(ccc(O)3)2)c(c(O)cc1O)OC
M END
