Mol:FLIDHXNI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.1515 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1515 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0389 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0389 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 2.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4826 0.8827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0737 1.2038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0737 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4826 2.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2246 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8194 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8194 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2246 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4809 0.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 1.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7708 2.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4136 1.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2246 -0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8188 -1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8188 -1.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2258 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4118 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8194 0.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8194 0.1960 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
19 1 1 0 0 0 0
15 20 1 0 0 0 0
13 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
14 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 2.0563 -0.0103
S SKP 8
ID FLIDHXNI0006
KNApSAcK_ID C00010019
NAME Sphenostylin B;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-prenylpterocarpan
CAS_RN 115610-55-4
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES c(c43)(ccc(O)c4)C(C(CO3)(O)1)Oc(c(CC=C(C)C)2)c(cc(c(OC)2)O)1
M END
