Mol:FL6FA9NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-1.6796 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5597 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 -1.4198 0.0000 C 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
3 18 1 0 0 0 0
18 19 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SBV 1 20 -6.0306 2.3693
S SKP 8
ID FL6FA9NS0001
KNApSAcK_ID C00008750
NAME 7-Hydroxy-5-methoxyflavan
CAS_RN 35290-20-1
FORMULA C16H16O3
EXACTMASS 256.109944378
AVERAGEMASS 256.29643999999996
SMILES COc(c3)c(C2)c(cc(O)3)OC(C2)c(c1)cccc1
M END
