Mol:FLIC1LNI0004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.7270 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7270 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 1.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0543 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0543 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2438 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2438 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3463 1.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8380 -1.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2831 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8380 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8380 0.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8260 -0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6616 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9462 0.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6606 0.3696 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
17 1 1 0 0 0 0
14 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
16 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -4.2308 3.0108
S SKP 8
ID FLIC1LNI0004
KNApSAcK_ID C00010033
NAME Millinol B;(3R)-7,4'-Dihydroxy-2'-methoxy-6-(1,1-dimethylallyl)isoflavan
CAS_RN 121747-85-1
FORMULA C21H24O4
EXACTMASS 340.167459256
AVERAGEMASS 340.41285999999997
SMILES C=CC(c(c1)c(O)cc(O2)c(CC(c(c3)c(cc(O)c3)OC)C2)1)(C)C
M END
</pre>
