Mol:FL3FE8GS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.6759 2.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6759 2.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6759 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6759 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3904 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3904 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1049 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1049 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1049 2.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1049 2.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3904 2.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3904 2.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9615 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9615 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2470 1.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2470 1.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4675 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4675 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4675 0.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4675 0.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2470 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2470 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9615 0.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9615 0.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1820 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1820 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8964 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8964 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8964 0.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8964 0.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1820 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1820 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2470 -0.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2470 -0.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6109 1.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6109 1.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1820 -0.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1820 -0.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5464 -0.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5464 -0.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2880 1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2880 1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3904 0.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3904 0.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9341 2.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9341 2.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2109 0.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2109 0.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9571 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9571 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7400 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7400 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6958 -0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6958 -0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0776 -0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0776 -0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2946 -0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2946 -0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3388 -1.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3388 -1.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7335 -1.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7335 -1.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3657 -1.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3657 -1.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3331 -2.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3331 -2.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3961 -2.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3961 -2.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2880 -1.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2880 -1.2932 0.0000 O 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FE8GS0003 | + | ID FL3FE8GS0003 |
| − | KNApSAcK_ID C00013710 | + | KNApSAcK_ID C00013710 |
| − | NAME 5,2',6'-Trihydroxy-6,7-dimethoxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one | + | NAME 5,2',6'-Trihydroxy-6,7-dimethoxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 168293-27-4 | + | CAS_RN 168293-27-4 |
| − | FORMULA C23H24O12 | + | FORMULA C23H24O12 |
| − | EXACTMASS 492.126776232 | + | EXACTMASS 492.126776232 |
| − | AVERAGEMASS 492.42946 | + | AVERAGEMASS 492.42946 |
| − | SMILES c(c4)cc(c(c(O)4)C(O2)=CC(=O)c(c3O)c(cc(c(OC)3)OC)2)OC(C(O)1)OC(CO)C(C1O)O | + | SMILES c(c4)cc(c(c(O)4)C(O2)=CC(=O)c(c3O)c(cc(c(OC)3)OC)2)OC(C(O)1)OC(CO)C(C1O)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/
35 38 0 0 0 0 0 0 0 0999 V2000
1.6759 2.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6759 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3904 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1049 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1049 2.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3904 2.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9615 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2470 1.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4675 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4675 0.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2470 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9615 0.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1820 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8964 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8964 0.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1820 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2470 -0.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6109 1.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1820 -0.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5464 -0.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2880 1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3904 0.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9341 2.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2109 0.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9571 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7400 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6958 -0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0776 -0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2946 -0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3388 -1.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7335 -1.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3657 -1.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3331 -2.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3961 -2.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2880 -1.2932 0.0000 O 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 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
15 20 1 0 0 0 0
18 21 1 0 0 0 0
3 22 1 0 0 0 0
1 23 1 0 0 0 0
20 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
22 28 1 0 0 0 0
S SKP 8
ID FL3FE8GS0003
KNApSAcK_ID C00013710
NAME 5,2',6'-Trihydroxy-6,7-dimethoxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 168293-27-4
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES c(c4)cc(c(c(O)4)C(O2)=CC(=O)c(c3O)c(cc(c(OC)3)OC)2)OC(C(O)1)OC(CO)C(C1O)O
M END
