Mol:FL6F1CNI0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-2.5417 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5417 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 -1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5408 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5408 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0773 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0404 -0.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0398 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 -0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0398 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -0.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0418 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5021 0.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5530 0.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5530 0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0650 1.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0650 1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5021 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0418 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 -1.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 0.8878 0.0000 O 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
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
9 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
9 17 1 1 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
13 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
15 30 1 0 0 0 0
S SKP 8
ID FL6F1CNI0001
KNApSAcK_ID C00000975
NAME Kazinol A
CAS_RN 99624-28-9
FORMULA C25H30O4
EXACTMASS 394.21440944799997
AVERAGEMASS 394.50329999999997
SMILES C(C2)c(c1OC2(c(c(CC=C(C)C)3)cc(c(O)c3O)CC=C(C)C)[H])ccc(c1)O
M END
</pre>
