Mol:FLIDHXNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.0044 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 0.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3296 -1.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 0.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -2.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 1.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4243 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3597 2.1001 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 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 1 0 0 0 0
1 2 1 0 0 0 0
18 1 1 0 0 0 0
12 17 1 0 0 0 0
14 19 1 0 0 0 0
8 20 1 0 0 0 0
6 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
S SKP 8
ID FLIDHXNI0004
KNApSAcK_ID C00009689
NAME Glyceollidin I;3,6a,9-Trihydroxy-4-prenylpterocarpan
CAS_RN 77979-21-6
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES C(c(c4O)c(c(cc4)1)OCC(O)(c32)C1Oc2cc(O)cc3)C=C(C)C
M END
