Mol:FLICWXNS0008
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 |
| − | -2.3522 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3522 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3522 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3522 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7959 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7959 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2396 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2396 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2396 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2396 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7959 1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7959 1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6833 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6833 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1270 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1270 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1270 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1270 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6833 1.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6833 1.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4291 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4291 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4291 -0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4291 -0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0239 -1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0239 -1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6187 -0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6187 -0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6187 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6187 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0239 0.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0239 0.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0239 1.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0239 1.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9274 1.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9274 1.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4847 -1.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4847 -1.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3508 -1.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3508 -1.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2129 0.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2129 0.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9274 -0.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9274 -0.0644 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 2 0 0 0 0 | + | 7 8 2 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 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 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 |
| − | 15 21 1 0 0 0 0 | + | 15 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 2.2129 0.3481 | + | M SVB 2 23 2.2129 0.3481 |
| − | 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 1.8557 -0.888 | + | M SVB 1 21 1.8557 -0.888 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLICWXNS0008 | + | ID FLICWXNS0008 |
| − | KNApSAcK_ID C00010037 | + | KNApSAcK_ID C00010037 |
| − | NAME Odoriflavene;7,2'-Dihydroxy-3',4'-dimethoxyisoflav-3-ene | + | NAME Odoriflavene;7,2'-Dihydroxy-3',4'-dimethoxyisoflav-3-ene |
| − | CAS_RN 101153-41-7 | + | CAS_RN 101153-41-7 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c3)c(OC)c(O)c(c3)C(C1)=Cc(c2)c(cc(O)c2)O1 | + | SMILES COc(c3)c(OC)c(O)c(c3)C(C1)=Cc(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
-2.3522 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3522 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7959 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2396 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2396 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7959 1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6833 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1270 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1270 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6833 1.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4291 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4291 -0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0239 -1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6187 -0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6187 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0239 0.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0239 1.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9274 1.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4847 -1.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3508 -1.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2129 0.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9274 -0.0644 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 2 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 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 11 1 0 0 0 0
16 17 1 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
15 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 2.2129 0.3481
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 1.8557 -0.888
S SKP 8
ID FLICWXNS0008
KNApSAcK_ID C00010037
NAME Odoriflavene;7,2'-Dihydroxy-3',4'-dimethoxyisoflav-3-ene
CAS_RN 101153-41-7
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c3)c(OC)c(O)c(c3)C(C1)=Cc(c2)c(cc(O)c2)O1
M END
