Mol:FLICWXNS0009
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 |
| − | -2.1736 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1736 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1736 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1736 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6173 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6173 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0610 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0610 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0610 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0610 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6173 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6173 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5047 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5047 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0516 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0516 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0516 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0516 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5047 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5047 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6077 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6077 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6077 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6077 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2025 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2025 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7973 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7973 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7973 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7973 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2025 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2025 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2025 0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2025 0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7488 1.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7488 1.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6633 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6633 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5294 -1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5294 -1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3392 1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3392 1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9026 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9026 2.4812 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 |
| − | 6 21 1 0 0 0 0 | + | 6 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 -1.3392 1.5816 | + | M SVB 2 23 -1.3392 1.5816 |
| − | 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 2.0343 -1.1691 | + | M SVB 1 21 2.0343 -1.1691 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLICWXNS0009 | + | ID FLICWXNS0009 |
| − | KNApSAcK_ID C00010038 | + | KNApSAcK_ID C00010038 |
| − | NAME 7,2'-Dihydroxy-8,4'-dimethoxyisoflav-3-ene | + | NAME 7,2'-Dihydroxy-8,4'-dimethoxyisoflav-3-ene |
| − | CAS_RN 124901-96-8 | + | CAS_RN 124901-96-8 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c3)cc(O)c(c3)C(C2)=Cc(c1)c(O2)c(OC)c(O)c1 | + | SMILES COc(c3)cc(O)c(c3)C(C2)=Cc(c1)c(O2)c(OC)c(O)c1 |
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
-2.1736 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1736 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6173 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0610 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0610 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6173 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5047 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0516 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0516 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5047 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6077 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6077 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2025 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7973 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7973 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2025 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2025 0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7488 1.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6633 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5294 -1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3392 1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9026 2.4812 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
6 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 -1.3392 1.5816
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 2.0343 -1.1691
S SKP 8
ID FLICWXNS0009
KNApSAcK_ID C00010038
NAME 7,2'-Dihydroxy-8,4'-dimethoxyisoflav-3-ene
CAS_RN 124901-96-8
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c3)cc(O)c(c3)C(C2)=Cc(c1)c(O2)c(OC)c(O)c1
M END
