Mol:FLIDHYNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 27 0 0 0 0 0 0 0 0999 V2000
-2.1783 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1783 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6220 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0657 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0657 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6220 1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5094 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0469 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0469 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5094 1.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6030 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6030 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1978 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7926 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7926 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1978 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5077 -0.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8495 1.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4458 -1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8495 -0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4458 0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6030 1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3175 0.7116 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
1 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
9 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -5.5987 4.5685
S SKP 8
ID FLIDHYNS0004
KNApSAcK_ID C00010011
NAME Sophoracarpan B;6-Methoxymaackiain;(6R,6aS,11aR)-3-Hydroxy-6-methoxy-8,9-methylenedioxypterocarpan
CAS_RN 104700-88-1
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COC(O1)C(c43)C(Oc(cc(O5)c(OC5)c4)3)c(c2)c(cc(O)c2)1
M END
