Mol:FL63AAGS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
0.6361 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6361 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0783 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7928 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7928 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0783 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3506 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0651 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0651 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3506 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7796 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1244 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1244 1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 1.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7796 1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5073 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7629 1.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8567 -1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0783 -1.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1726 0.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7601 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9620 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1688 0.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5812 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3794 0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5477 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0929 1.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7629 0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1815 0.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3232 -0.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 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
1 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 2 1 0 0 0 0
9 11 1 1 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
4 17 1 0 0 0 0
8 19 1 6 0 0 0
14 18 1 0 0 0 0
6 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
17 24 1 0 0 0 0
S SKP 8
ID FL63AAGS0009
KNApSAcK_ID C00013254
NAME Ent-afzelechin-7-O-beta-D-glucopyranoside
CAS_RN -
FORMULA C21H24O10
EXACTMASS 436.136946988
AVERAGEMASS 436.40926
SMILES Oc(c1)ccc(C(O4)C(O)Cc(c24)c(cc(OC(O3)C(O)C(O)C(O)C3CO)c2)O)c1
M END
