Mol:FLID1ANP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 29 0 0 0 0 0 0 0 0999 V2000
-1.8805 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8805 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3242 -0.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7679 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7679 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3242 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2116 -0.6770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3447 -0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3447 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2116 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9008 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9008 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0904 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0904 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2058 -1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4368 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3242 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8805 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4368 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4368 1.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0424 1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9564 -1.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8225 -2.3637 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
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 2.3279 -1.57
S SKP 8
ID FLID1ANP0003
KNApSAcK_ID C00009643
NAME Hemileiocarpin
CAS_RN 66446-92-2
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES C(C52)(COc(c54)c(c(cc4)3)C=CC(C)(C)O3)c(c1)c(O2)cc(OC)c1
M END
