Mol:FLIC1LNP0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-0.7638 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7638 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2075 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3488 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3488 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2075 0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9051 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4614 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4614 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9051 0.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0175 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0175 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6123 -1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2071 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2071 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6123 -0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2075 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8603 -1.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2639 -1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8603 -0.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3201 0.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4233 -1.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7638 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3201 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9098 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3201 1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4992 1.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0886 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6769 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2639 0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6769 1.8118 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
1 2 1 0 0 0 0
6 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
21 1 1 0 0 0 0
12 22 1 0 0 0 0
17 23 2 0 0 0 0
23 24 1 0 0 0 0
24 21 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FLIC1LNP0011
KNApSAcK_ID C00009737
NAME Nitidulan
CAS_RN 66446-91-1
FORMULA C26H28O5
EXACTMASS 420.193674006
AVERAGEMASS 420.49752
SMILES Oc(c2)c(C(C5)Cc(c4O5)ccc(c43)OC(C)(CCC=C(C)C)C=C3)cc(c21)OCO1
M END
