Mol:FL63AGNN0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 38 0 0 0 0 0 0 0 0999 V2000
1.0509 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3703 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3703 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 -2.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7914 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7914 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 -2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3806 -2.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7426 -2.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7615 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7615 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3806 -0.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3692 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3692 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2801 2.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3687 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3687 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7930 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7930 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 1.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3157 0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2125 2.2049 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
3 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 4 1 0 0 0 0
7 11 1 1 0 0 0
9 12 2 0 0 0 0
6 13 1 0 0 0 0
1 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 2 1 0 0 0 0
15 18 1 6 0 0 0
16 19 1 6 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 19 1 0 0 0 0
22 25 1 0 0 0 0
21 26 1 0 0 0 0
11 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 11 1 0 0 0 0
29 32 1 0 0 0 0
30 33 1 0 0 0 0
23 34 1 0 0 0 0
S SKP 8
ID FL63AGNN0004
KNApSAcK_ID C00013263
NAME Apocynin A;(2R,3S,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one
CAS_RN 246152-21-6
FORMULA C24H20O10
EXACTMASS 468.10564686
AVERAGEMASS 468.40959999999995
SMILES c(c1C(c25)CC(=O)Oc2cc(c(c35)CC(C(c(c4)cc(c(O)c(O)4)O)O3)O)O)cc(c(c1)O)O
M END
