Mol:FLIAEANS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0709 0.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0709 0.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4504 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4504 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9963 0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9963 0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1624 1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1624 1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7830 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7830 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2372 0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2372 0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7083 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7083 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8745 2.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8745 2.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4950 2.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4950 2.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9492 1.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9492 1.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4205 2.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4205 2.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7571 2.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7571 2.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2714 2.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2714 2.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4492 3.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4492 3.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1126 3.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1126 3.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5982 3.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5982 3.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0880 1.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0880 1.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3759 0.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3759 0.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8353 -0.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8353 -0.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1595 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1595 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2579 4.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2579 4.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9650 4.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9650 4.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7611 -0.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7611 -0.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7270 -0.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7270 -0.2754 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 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 -2.4612 1.4439 | + | M SVB 3 25 -2.4612 1.4439 |
| − | 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 2.1039 -1.0314 | + | M SVB 2 23 2.1039 -1.0314 |
| − | 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 -2.8184 0.2742 | + | M SVB 1 21 -2.8184 0.2742 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAEANS0009 | + | ID FLIAEANS0009 |
| − | KNApSAcK_ID C00009469 | + | KNApSAcK_ID C00009469 |
| − | NAME 7,4'-Di-O-methyltectorigenin;5-Hydroxy-6,7,4'-trimethoxyisoflavone | + | NAME 7,4'-Di-O-methyltectorigenin;5-Hydroxy-6,7,4'-trimethoxyisoflavone |
| − | CAS_RN 13186-08-8 | + | CAS_RN 13186-08-8 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(C(C3=O)=COc(c23)cc(c(c2O)OC)OC)(c1)ccc(OC)c1 | + | SMILES c(C(C3=O)=COc(c23)cc(c(c2O)OC)OC)(c1)ccc(OC)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/
24 26 0 0 0 0 0 0 0 0999 V2000
-3.0709 0.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4504 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9963 0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1624 1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7830 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2372 0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7083 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8745 2.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4950 2.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9492 1.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4205 2.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7571 2.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2714 2.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4492 3.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1126 3.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5982 3.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0880 1.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3759 0.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8353 -0.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1595 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2579 4.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9650 4.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7611 -0.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7270 -0.2754 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
2 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 -2.4612 1.4439
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 2.1039 -1.0314
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 -2.8184 0.2742
S SKP 8
ID FLIAEANS0009
KNApSAcK_ID C00009469
NAME 7,4'-Di-O-methyltectorigenin;5-Hydroxy-6,7,4'-trimethoxyisoflavone
CAS_RN 13186-08-8
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(C(C3=O)=COc(c23)cc(c(c2O)OC)OC)(c1)ccc(OC)c1
M END
