Mol:FLIDHXNI0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-2.4612 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 0.7521 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2359 1.0732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2359 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 2.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7905 0.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5091 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5091 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9161 -2.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1021 -2.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 -0.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2418 -0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1039 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 2.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3184 3.2003 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
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
7 17 1 0 0 0 0
12 17 1 0 0 0 0
8 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 31
M SMT 3 OCH3
M SVB 3 31 -2.8184 2.3343
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 2.1039 1.0952
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 1.7467 -0.1409
S SKP 8
ID FLIDHXNI0007
KNApSAcK_ID C00010020
NAME Sphenostylin A;(6aS,11aS)-6a-Hydroxy-3,8,9-trimethoxy-10-prenylpterocarpan
CAS_RN 115610-53-2
FORMULA C23H26O6
EXACTMASS 398.172938564
AVERAGEMASS 398.44894
SMILES c(c1)(O4)c(C(O2)C(C4)(O)c(c3)c(c(CC=C(C)C)c(OC)c3OC)2)ccc1OC
M END
