Mol:FL4DAACS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.9848 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9848 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4285 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1278 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1278 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4285 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6841 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2404 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2404 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6841 0.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6841 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4285 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9203 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5065 0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0927 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0927 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5065 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9203 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6786 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1647 -0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7936 -1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2591 -1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7433 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1181 -0.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5857 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6786 -1.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3722 -1.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9528 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3583 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6868 -0.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9841 -0.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1873 -0.3341 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 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 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
3 12 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
9 13 1 6 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
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
2 23 1 0 0 0 0
29 1 1 0 0 0 0
8 30 1 1 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 ^CH2OH
M SBV 1 34 -6.4322 7.4971
S SKP 8
ID FL4DAACS0001
KNApSAcK_ID C00006089
NAME 6-C-Glucopyranosyldihydrokaempferol;Aromadendrin 6-C-glucoside;(2R,3R)-6-beta-D-Glucopyranosyl-2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 112494-34-5
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES c(c4)c(ccc(O)4)C(C3O)Oc(c(C3=O)2)cc(c(c2O)C(C(O)1)OC(CO)C(O)C1O)O
M END
