Mol:FL6F1CNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -0.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 -0.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 0.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 0.3935 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
15 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SBV 1 21 -5.4824 3.8521
S SKP 8
ID FL6F1CNS0003
KNApSAcK_ID C00008760
NAME 7,3'-Dihydroxy-4'-methoxyflavan
CAS_RN 162290-05-3
FORMULA C16H16O4
EXACTMASS 272.104859
AVERAGEMASS 272.29584
SMILES COc(c3)c(O)cc(c3)C(C1)Oc(c2)c(ccc(O)2)C1
M END
