Mol:FLIA1ANI0001
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
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Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.0047 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0047 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4484 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8921 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8921 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4484 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3358 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2205 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2205 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3358 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7766 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7766 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3714 -0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9662 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9662 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3714 1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3358 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5610 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5610 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3714 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9644 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9644 -1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3714 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5574 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 2 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 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
7 17 2 0 0 0 0
18 14 1 0 0 0 0
1 19 1 0 0 0 0
13 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
S SKP 8
ID FLIA1ANI0001
KNApSAcK_ID C00009432
NAME Neobavaisoflavone
CAS_RN 41060-15-5
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(c3)(O1)c(ccc(O)3)C(C(c(c2)cc(c(O)c2)CC=C(C)C)=C1)=O
M END
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