Mol:FL63ACNN0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-1.6761 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6761 -0.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 -1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5635 -0.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5635 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 -0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0072 -1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5491 -0.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5491 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0072 -0.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1052 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6722 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6722 0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1052 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2322 -0.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6812 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2425 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8059 0.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 -1.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1052 -1.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 -0.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5590 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0038 0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5666 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5666 1.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0038 1.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5590 1.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 1.9364 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
9 11 1 6 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 17 1 0 0 0 0
21 22 2 0 0 0 0
3 23 1 0 0 0 0
8 24 1 6 0 0 0
13 25 1 0 0 0 0
19 26 1 1 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
S SKP 8
ID FL63ACNN0003
KNApSAcK_ID C00008962
NAME 9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one
CAS_RN 155050-41-2
FORMULA C24H20O8
EXACTMASS 436.11581761599996
AVERAGEMASS 436.4108
SMILES c(c5)c(ccc5O)C(c41)CC(=O)Oc(cc(O)c(c34)CC(C(O3)c(c2)cc(c(O)c2)O)O)1
M END
