Mol:FL631CNC0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.4428 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9770 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9769 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5438 0.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5438 2.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 -0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9120 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9120 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2026 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2026 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4684 -0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 -2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7598 -0.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6265 -1.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9120 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
4 5 2 0 0 0 0
5 1 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 5 1 0 0 0 0
8 10 1 6 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
2 16 1 0 0 0 0
3 17 2 0 0 0 0
17 4 1 0 0 0 0
13 18 1 0 0 0 0
6 19 1 1 0 0 0
14 20 1 0 0 0 0
19 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 19 1 0 0 0 0
21 26 1 0 0 0 0
23 27 1 0 0 0 0
7 28 1 1 0 0 0
22 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 ^OCH3
M SBV 1 32 -5.1900 4.1373
S SKP 8
ID FL631CNC0002
KNApSAcK_ID C00009324
NAME 4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol
CAS_RN 126655-04-7
FORMULA C22H20O8
EXACTMASS 412.11581761599996
AVERAGEMASS 412.3894
SMILES c(c1)(C3c(c4)c(c(c(O)c4)OC)O)c(OC(C3O)c(c2)ccc(c2O)O)cc(O)c1
M END
