Mol:FL5FAIGL0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 45 0 0 0 0 0 0 0 0999 V2000
-2.1643 -0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4977 -0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4977 0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1643 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8308 0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8308 -0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8311 -0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1646 -0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1646 0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8311 0.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4661 0.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1135 0.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7609 0.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7609 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1135 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4661 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3233 1.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1135 2.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5360 2.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4094 0.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1643 -1.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8311 -1.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6019 -0.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6758 -1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8956 -1.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6428 -1.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1074 -2.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8877 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7408 -2.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8590 -2.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1881 -2.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5594 -1.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9762 -1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1893 -0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4094 -1.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3033 -0.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3033 -0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8893 -0.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6862 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3067 0.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9674 0.4248 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 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 2 0 0 0 0
9 10 1 0 0 0 0
10 3 1 0 0 0 0
9 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
14 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
5 20 1 0 0 0 0
1 21 1 0 0 0 0
7 22 2 0 0 0 0
8 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
23 25 1 0 0 0 0
27 30 1 0 0 0 0
30 31 1 0 0 0 0
28 32 1 0 0 0 0
29 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
24 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
38 40 1 0 0 0 0
13 41 1 0 0 0 0
41 42 1 0 0 0 0
S SKP 8
ID FL5FAIGL0005
KNApSAcK_ID C00011134
NAME 3',5'-O-Dimethylmyricetin 3-O-beta-D-2'',3''-diacetylglucopyranoside;Syringetin 3-(2'',3''-diacetylglucoside);3-[(2,3-Di-O-acetyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 600736-89-8
FORMULA C27H28O15
EXACTMASS 592.1428202259999
AVERAGEMASS 592.5022200000001
SMILES O(C(=C(c(c4)cc(c(O)c4OC)OC)2)C(=O)c(c3O)c(cc(c3)O)O2)C(C1OC(C)=O)OC(C(C1OC(C)=O)O)CO
M END
