Mol:FLIAALNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4612 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4612 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9049 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9049 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3486 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3486 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3486 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3486 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9049 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9049 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7923 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7923 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2359 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2359 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2359 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2359 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7923 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7923 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5097 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5097 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5097 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5097 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7923 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7923 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9049 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9049 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1039 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1039 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1039 0.0671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1039 0.0671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8184 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8184 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3757 -1.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3757 -1.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3758 -2.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3758 -2.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8184 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8184 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3183 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3183 2.1723 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 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 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 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 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 -2.8184 1.3062 | + | M SVB 3 26 -2.8184 1.3062 |
| − | 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 -0.3943 -0.8933 | + | M SVB 2 24 -0.3943 -0.8933 |
| − | 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 2.1039 0.0671 | + | M SVB 1 22 2.1039 0.0671 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNS0005 | + | ID FLIAALNS0005 |
| − | KNApSAcK_ID C00009479 | + | KNApSAcK_ID C00009479 |
| − | NAME Derrugenin;5,4'-Dihydroxy-7,2',5'-trimethoxyisoflavone | + | NAME Derrugenin;5,4'-Dihydroxy-7,2',5'-trimethoxyisoflavone |
| − | CAS_RN 73428-16-7 | + | CAS_RN 73428-16-7 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c13)(O)cc(OC)cc1OC=C(C3=O)c(c(OC)2)cc(OC)c(O)c2 | + | SMILES c(c13)(O)cc(OC)cc1OC=C(C3=O)c(c(OC)2)cc(OC)c(O)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.4612 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1039 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1039 0.0671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3757 -1.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3758 -2.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3183 2.1723 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 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 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
15 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
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 -2.8184 1.3062
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 -0.3943 -0.8933
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 2.1039 0.0671
S SKP 8
ID FLIAALNS0005
KNApSAcK_ID C00009479
NAME Derrugenin;5,4'-Dihydroxy-7,2',5'-trimethoxyisoflavone
CAS_RN 73428-16-7
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c13)(O)cc(OC)cc1OC=C(C3=O)c(c(OC)2)cc(OC)c(O)c2
M END
