Mol:FLIG1LNI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.8431 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8431 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2868 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7305 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7305 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2868 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1742 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6179 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6179 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1742 0.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0618 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0618 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5330 -1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1278 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1278 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5330 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1725 -1.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7843 -1.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5394 0.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2868 -1.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3992 0.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7220 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3162 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9104 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9104 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5046 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2868 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8961 1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8961 2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2876 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5046 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5330 -2.5244 0.0000 O 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
14 18 1 0 0 0 0
9 19 1 0 0 0 0
19 16 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
6 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
13 32 1 0 0 0 0
S SKP 8
ID FLIG1LNI0005
KNApSAcK_ID C00010069
NAME Euchretin B
CAS_RN 125002-85-9
FORMULA C25H24O7
EXACTMASS 436.152203122
AVERAGEMASS 436.45385999999996
SMILES c(O)(c4)c(O)c(c(c43)oc(c32)Oc(c1C(=O)2)c(c(O)cc1O)CC=C(C)C)CC=C(C)C
M END
