Mol:FL3FA9GS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.3606 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3606 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3606 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3606 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9169 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9169 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4732 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4732 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4732 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4732 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9169 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9169 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0295 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0295 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5858 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5858 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5858 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5858 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0295 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0295 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0295 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0295 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1419 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1419 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7089 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7089 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2759 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2759 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2759 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2759 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7089 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7089 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1419 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1419 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1955 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1955 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9169 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9169 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6668 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6668 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2542 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2542 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4558 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4558 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6624 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6624 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0749 0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0749 0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8733 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8733 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1702 -0.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1702 -0.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8574 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8574 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2192 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2192 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2192 1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2192 1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3603 0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3603 0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8770 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8770 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8770 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8770 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2759 0.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2759 0.3783 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 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 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 20 30 1 0 0 0 0 | + | 20 30 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9GS0008 | + | ID FL3FA9GS0008 |
| − | KNApSAcK_ID C00013598 | + | KNApSAcK_ID C00013598 |
| − | NAME Chrysin 7-(4''-acetylglucoside);7-[(4-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one | + | NAME Chrysin 7-(4''-acetylglucoside);7-[(4-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one |
| − | CAS_RN 674299-89-9 | + | CAS_RN 674299-89-9 |
| − | FORMULA C23H22O10 | + | FORMULA C23H22O10 |
| − | EXACTMASS 458.121296924 | + | EXACTMASS 458.121296924 |
| − | AVERAGEMASS 458.41478000000006 | + | AVERAGEMASS 458.41478000000006 |
| − | SMILES C(O2)(=CC(c(c4O)c(cc(c4)OC(O3)C(C(O)C(C3CO)OC(C)=O)O)2)=O)c(c1)cccc1 | + | SMILES C(O2)(=CC(c(c4O)c(cc(c4)OC(O3)C(C(O)C(C3CO)OC(C)=O)O)2)=O)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
0.3606 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3606 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9169 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4732 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4732 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9169 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0295 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5858 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5858 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0295 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0295 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1419 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7089 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2759 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2759 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7089 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1419 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1955 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9169 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6668 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2542 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4558 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6624 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0749 0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8733 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 -0.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8574 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2192 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2192 1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3603 0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8770 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8770 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2759 0.3783 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
7 11 2 0 0 0 0
9 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
1 18 1 0 0 0 0
3 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
22 26 1 0 0 0 0
21 27 1 0 0 0 0
25 28 1 0 0 0 0
28 29 1 0 0 0 0
20 30 1 0 0 0 0
30 32 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
23 18 1 0 0 0 0
S SKP 8
ID FL3FA9GS0008
KNApSAcK_ID C00013598
NAME Chrysin 7-(4''-acetylglucoside);7-[(4-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one
CAS_RN 674299-89-9
FORMULA C23H22O10
EXACTMASS 458.121296924
AVERAGEMASS 458.41478000000006
SMILES C(O2)(=CC(c(c4O)c(cc(c4)OC(O3)C(C(O)C(C3CO)OC(C)=O)O)2)=O)c(c1)cccc1
M END
