Mol:FL3FALNP0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-0.3082 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4063 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4063 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9786 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5497 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5497 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4516 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1661 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1661 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4516 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9786 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4483 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4516 3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 3.0937 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 17 2 0 0 0 0
16 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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 9 1 0 0 0 0
5 15 2 0 0 0 0
17 16 1 0 0 0 0
4 18 1 0 0 0 0
12 19 1 0 0 0 0
10 20 1 0 0 0 0
6 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
17 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 16 1 0 0 0 0
27 30 1 0 0 0 0
27 31 1 0 0 0 0
13 32 1 0 0 0 0
3 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
S SKP 8
ID FL3FALNP0018
KNApSAcK_ID C00013460
NAME Heterophyllin
CAS_RN -
FORMULA C30H32O7
EXACTMASS 504.214803378
AVERAGEMASS 504.57088
SMILES c(c1O)(C(O2)=C(CC=C(C)C)C(c(c3O)c2c(CC=C(C)C)c(O4)c3C=CC4(C)C)=O)cc(O)c(O)c1
M END
