Mol:FLICWXNS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.1952 -3.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1952 -3.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2512 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2512 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7250 -2.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7250 -2.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1428 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1428 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0868 -2.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0868 -2.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6130 -3.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6130 -3.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6166 -1.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6166 -1.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0344 -2.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0344 -2.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9785 -2.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9785 -2.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5046 -3.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5046 -3.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5084 -1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5084 -1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5683 -1.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5683 -1.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0057 -0.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0057 -0.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6168 -1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6168 -1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6766 -1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6766 -1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1140 -2.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1140 -2.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7212 -3.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7212 -3.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0655 -0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0655 -0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8331 -2.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8331 -2.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4359 -0.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4359 -0.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2551 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2551 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2740 -1.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2740 -1.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.8140 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 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 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 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -0.1163 -0.4015 | + | M SVB 2 24 -0.1163 -0.4015 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 2.0247 -0.6772 | + | M SVB 1 22 2.0247 -0.6772 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLICWXNS0007 | + | ID FLICWXNS0007 |
| − | KNApSAcK_ID C00009754 | + | KNApSAcK_ID C00009754 |
| − | NAME 6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavene | + | NAME 6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavene |
| − | CAS_RN 84994-55-8 | + | CAS_RN 84994-55-8 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c3)c(O)c(OC)c(c3)C(C2)=Cc(c1)c(O2)cc(O)c(O)1 | + | SMILES COc(c3)c(O)c(OC)c(c3)C(C2)=Cc(c1)c(O2)cc(O)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
3.1952 -3.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2512 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7250 -2.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1428 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0868 -2.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6130 -3.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6166 -1.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0344 -2.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9785 -2.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5046 -3.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5084 -1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5683 -1.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0057 -0.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6168 -1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6766 -1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1140 -2.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7212 -3.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0655 -0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8331 -2.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4359 -0.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2551 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2740 -1.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.8140 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 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 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
13 18 1 0 0 0 0
2 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
12 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -0.1163 -0.4015
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 2.0247 -0.6772
S SKP 8
ID FLICWXNS0007
KNApSAcK_ID C00009754
NAME 6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavene
CAS_RN 84994-55-8
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c3)c(O)c(OC)c(c3)C(C2)=Cc(c1)c(O2)cc(O)c(O)1
M END
