Mol:FLIAALNF0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.3368 0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3368 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 -0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2242 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2242 0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6679 -0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1116 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1116 0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6679 0.6626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4445 -0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4445 -1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0393 -1.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6341 -1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6341 -0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0393 -0.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6679 -1.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8929 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 -1.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2283 -1.6519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1444 -0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8651 0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1821 0.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2082 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8929 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8658 1.6522 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 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 16 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 2 0 0 0 0
S SKP 8
ID FLIAALNF0004
KNApSAcK_ID C00009875
NAME Crotarin
CAS_RN 109517-69-3
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES C(C)(=C)C(C4)Oc(c43)c(ccc(O)3)C(C(=O)1)=COc(c2)c1c(cc(O)2)O
M END
