Mol:FLID1CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 27 0 0 0 0 0 0 0 0999 V2000
-1.7996 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7996 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7987 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7987 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2983 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2021 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2021 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2983 1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2408 1.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1782 -0.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3965 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6316 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 -0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3109 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5460 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2063 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8964 0.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0946 -0.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7404 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2408 -0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1207 -0.4334 0.0000 O 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
1 11 1 0 0 0 0
7 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 8 1 0 0 0 0
13 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 14 1 0 0 0 0
8 19 1 6 0 0 0
7 20 1 6 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 17 1 0 0 0 0
S SKP 8
ID FLID1CNS0001
KNApSAcK_ID C00002546
NAME (-)-Maackiain;Inermin;Demethylpterocarpin;3-Hydroxy-8,9-methylenedioxypterocarpan
CAS_RN 2035-15-6
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES Oc(c5)cc(O4)c(c5)C([H])(O1)C([H])(C4)c(c2)c(cc(O3)c(OC3)2)1
M END
