Mol:FLIA2AGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-3.8111 1.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2548 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6985 1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1424 1.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1424 0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5657 0.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9889 0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9889 1.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5657 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2546 0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6985 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5657 -0.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4126 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4126 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1387 -0.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6901 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6901 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1387 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2414 -0.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9094 -0.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2806 -0.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8151 -0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3309 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9561 -0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4885 -0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1214 0.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8111 -0.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3068 -0.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7165 0.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8149 -1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5294 -1.4442 0.0000 O 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 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
25 26 1 0 0 0 0
23 27 1 0 0 0 0
19 20 1 0 0 0 0
24 28 1 0 0 0 0
10 29 1 0 0 0 0
22 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SBV 1 33 -6.7966 3.1309
S SKP 8
ID FLIA2AGS0001
KNApSAcK_ID C00010084
NAME Demethyltexasin 4'-O-glucoside; 6,7,4'-Trihydroxyisoflavone 4'-O-glucoside
CAS_RN 34307-23-8
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c1C(C3=O)=COc(c4)c3cc(O)c(O)4)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1
M END
