Mol:FLIAEAGS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9370 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9370 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3807 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3807 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8246 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8246 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8246 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8246 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2479 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2479 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6712 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6712 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6712 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6712 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2479 1.4078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2479 1.4078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9370 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9370 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3807 0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3807 0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2479 -0.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2479 -0.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0948 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0948 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0948 -0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0948 -0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4565 -0.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4565 -0.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0079 -0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0079 -0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0079 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0079 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4565 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4565 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4784 -0.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4784 -0.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3912 -0.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3912 -0.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1654 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1654 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5365 -1.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5365 -1.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0710 -0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0710 -0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6853 -0.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6853 -0.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2120 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2120 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7444 -0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7444 -0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2382 -0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2382 -0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7894 -0.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7894 -0.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1942 -0.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1942 -0.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9784 1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9784 1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7753 1.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7753 1.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0709 -1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0709 -1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7853 -1.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7853 -1.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4797 -0.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4797 -0.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1942 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1942 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 2 0 0 0 0 | + | 5 11 2 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 10 19 1 0 0 0 0 | + | 10 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 9 33 1 0 0 0 0 | + | 9 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 32 -5.7157 4.1692 | + | M SBV 1 32 -5.7157 4.1692 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 34 -5.6745 3.3627 | + | M SBV 2 34 -5.6745 3.3627 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 33 34 | + | M SAL 3 2 33 34 |
| − | M SBL 3 1 36 | + | M SBL 3 1 36 |
| − | M SMT 3 ^OCH3 | + | M SMT 3 ^OCH3 |
| − | M SBV 3 36 -6.2170 3.2616 | + | M SBV 3 36 -6.2170 3.2616 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAEAGS0005 | + | ID FLIAEAGS0005 |
| − | KNApSAcK_ID C00010126 | + | KNApSAcK_ID C00010126 |
| − | NAME 7-O-Methyltectorigenin 4'-O-glucoside | + | NAME 7-O-Methyltectorigenin 4'-O-glucoside |
| − | CAS_RN 19316-92-8 | + | CAS_RN 19316-92-8 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES c(c3OC(C(O)4)OC(CO)C(O)C4O)cc(cc3)C(C1=O)=COc(c2)c1c(c(OC)c2OC)O | + | SMILES c(c3OC(C(O)4)OC(CO)C(O)C4O)cc(cc3)C(C1=O)=COc(c2)c1c(c(OC)c2OC)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.9370 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8246 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8246 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2479 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6712 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6712 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2479 1.4078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9370 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2479 -0.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 -0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4565 -0.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0079 -0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0079 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4565 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4784 -0.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3912 -0.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1654 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5365 -1.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0710 -0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6853 -0.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2120 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7444 -0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2382 -0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7894 -0.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1942 -0.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9784 1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7753 1.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0709 -1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7853 -1.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4797 -0.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1942 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 2 0 0 0 0
6 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 17 2 0 0 0 0
17 12 1 0 0 0 0
18 15 1 0 0 0 0
10 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
18 20 1 0 0 0 0
25 26 1 0 0 0 0
24 27 1 0 0 0 0
23 28 1 0 0 0 0
1 29 1 0 0 0 0
29 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
9 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 ^OCH3
M SBV 1 32 -5.7157 4.1692
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 CH2OH
M SBV 2 34 -5.6745 3.3627
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 36
M SMT 3 ^OCH3
M SBV 3 36 -6.2170 3.2616
S SKP 8
ID FLIAEAGS0005
KNApSAcK_ID C00010126
NAME 7-O-Methyltectorigenin 4'-O-glucoside
CAS_RN 19316-92-8
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES c(c3OC(C(O)4)OC(CO)C(O)C4O)cc(cc3)C(C1=O)=COc(c2)c1c(c(OC)c2OC)O
M END
