Mol:FLIC1LNS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.2358 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7919 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7919 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1690 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -1.1571 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 0 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 2 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
12 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 ^OCH3
M SBV 1 24 -6.8855 4.5769
S SKP 8
ID FLIC1LNS0009
KNApSAcK_ID C00009713
NAME Astraciceran;7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavan
CAS_RN 72026-91-6
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c3)c(cc(O4)c(OC4)3)C(C1)Cc(c2)c(cc(O)c2)O1
M END
