Mol:FLIBALNI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-2.0573 0.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0573 0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5010 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 0.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5010 1.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3884 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1679 0.0651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1679 0.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3884 1.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7240 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7240 -0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3188 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9136 -0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9136 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3188 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3884 -0.8982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1298 -1.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5010 -0.8982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6136 1.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6134 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6134 -0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1368 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1368 -1.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6962 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5078 0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5078 0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1020 1.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6962 0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1020 1.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7796 -1.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6457 -1.9427 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 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 2 0 0 0 0
12 18 1 0 0 0 0
3 19 1 0 0 0 0
20 1 1 0 0 0 0
2 21 1 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
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
14 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 2.1511 -1.149
S SKP 8
ID FLIBALNI0005
KNApSAcK_ID C00009565
NAME Sophoraisoflavanone B
CAS_RN 77369-91-6
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES C(c23)(C(COc2cc(c(CC=C(C)C)c(O)3)O)c(c(O)1)cc(CC=C(C)C)c(OC)c1)=O
M END
