Mol:FLIAAANP0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.4425 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4425 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3299 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3299 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2264 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7827 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7827 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2264 0.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3388 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3388 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5284 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5284 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2264 -1.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9986 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9986 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 -1.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5547 -0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5547 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5547 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1226 -0.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1226 -2.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4501 1.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4501 1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8869 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0134 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4501 2.2653 0.0000 O 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 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 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
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 18 2 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
14 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
S SKP 8
ID FLIAAANP0015
KNApSAcK_ID C00009944
NAME Euchrenone b6
CAS_RN 130170-02-4
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c3CCC(C)(C)O)(c(c(O)c(C=4)c(OC(C4)(C)C)3)1)OC=C(c(c2)ccc(c2)O)C1=O
M END
