Mol:FLIAEANS0006
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 |
| − | -1.9253 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9253 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9253 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9253 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3690 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3690 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8127 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8127 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8127 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8127 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3690 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3690 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2564 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2564 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2999 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2999 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2999 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2999 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2564 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2564 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8560 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8560 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8560 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8560 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4508 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4508 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0456 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0456 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0456 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0456 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4508 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4508 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2564 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2564 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3690 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3690 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6398 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6398 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6131 0.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6131 0.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9809 -0.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9809 -0.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2825 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7824 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7824 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 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 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 -2.2825 1.3062 | + | M SVB 2 24 -2.2825 1.3062 |
| − | 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 -2.6398 0.1365 | + | M SVB 1 22 -2.6398 0.1365 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAEANS0006 | + | ID FLIAEANS0006 |
| − | KNApSAcK_ID C00009463 | + | KNApSAcK_ID C00009463 |
| − | NAME 7-O-Methyltectorigenin;5,4'-Dihydroxy-6,7-dimethoxyisoflavone | + | NAME 7-O-Methyltectorigenin;5,4'-Dihydroxy-6,7-dimethoxyisoflavone |
| − | CAS_RN 1096-58-8 | + | CAS_RN 1096-58-8 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c1)c(OC)c(O)c(C(=O)2)c(OC=C(c(c3)ccc(O)c3)2)1 | + | SMILES COc(c1)c(OC)c(O)c(C(=O)2)c(OC=C(c(c3)ccc(O)c3)2)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
-1.9253 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9253 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3690 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8127 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8127 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3690 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2564 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2999 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2999 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2564 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8560 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8560 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4508 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0456 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0456 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4508 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2564 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3690 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6398 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6131 0.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9809 -0.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7824 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
2 20 1 0 0 0 0
20 21 1 0 0 0 0
1 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 -2.2825 1.3062
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 -2.6398 0.1365
S SKP 8
ID FLIAEANS0006
KNApSAcK_ID C00009463
NAME 7-O-Methyltectorigenin;5,4'-Dihydroxy-6,7-dimethoxyisoflavone
CAS_RN 1096-58-8
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c1)c(OC)c(O)c(C(=O)2)c(OC=C(c(c3)ccc(O)c3)2)1
M END
