Mol:FL4DALNI0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 36 0 0 0 0 0 0 0 0999 V2000
-1.0242 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0242 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5385 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0594 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0594 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5385 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5385 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6435 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1654 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6873 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6873 0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1654 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6435 0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5954 -1.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2088 0.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5309 -0.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0237 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0237 1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5440 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5440 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0644 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5848 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1052 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5848 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1219 0.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2088 0.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9576 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2431 -1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 6 0 0 0
15 19 1 0 0 0 0
6 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
22 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
17 31 1 0 0 0 0
28 32 1 0 0 0 0
2 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -7.6882 4.0861
S SKP 8
ID FL4DALNI0007
KNApSAcK_ID C00008653
NAME Kushenol K
CAS_RN 101236-49-1
FORMULA C26H32O8
EXACTMASS 472.20971799999995
AVERAGEMASS 472.52747999999997
SMILES C(C(C)=C)(Cc(c12)c(cc(OC)c1C(=O)C(O)C(c(c3)c(cc(O)c3)O)O2)O)CCC(C)(C)O
M END
