Mol:FL3FADGS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
3.4166 2.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4166 1.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1310 1.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8455 1.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8455 2.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1310 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7021 1.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9876 1.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2732 1.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2732 0.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9876 -0.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7021 0.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5587 1.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1558 1.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1558 0.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5587 -0.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9876 -0.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8703 1.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5587 -0.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5511 2.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4200 1.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1456 1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4551 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0426 1.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2446 1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4513 1.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8638 1.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6619 1.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8188 2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2985 2.3814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9382 1.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4912 1.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4160 0.6003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1003 0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5716 0.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9195 0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4269 0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4150 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1348 -1.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1456 -1.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4366 -2.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7168 -1.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7060 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4441 -2.8450 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
5 20 1 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 18 1 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 38 1 0 0 0 0
41 44 1 0 0 0 0
S SKP 8
ID FL3FADGS0025
KNApSAcK_ID C00013678
NAME Chrysoeriol 7-(3''-Z-p-coumaroylglucoside);5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[3-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
CAS_RN 498547-25-4
FORMULA C31H28O13
EXACTMASS 608.152990982
AVERAGEMASS 608.5462200000001
SMILES C(=C(c(c5)cc(c(O)c5)OC)4)C(=O)c(c1O4)c(O)cc(OC(C2O)OC(CO)C(C2OC(=O)C=Cc(c3)ccc(O)c3)O)c1
M END
