Mol:FL1CAANP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
1.7689 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3252 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8815 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8815 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3252 0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5120 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0683 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6051 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6051 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7103 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7103 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 -1.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4378 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2630 0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8156 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8156 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2630 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3682 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4378 -0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0527 0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0527 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6052 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5999 0.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4402 1.5312 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
18 5 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 15 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
13 25 1 0 0 0 0
12 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 25 2 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL1CAANP0002
KNApSAcK_ID C00007103
NAME Laxichalcone
CAS_RN 138079-68-2
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES Oc(c1)ccc(C=CC(c(c(O)3)c(c2c(O4)c3C=CC4(C)C)OC(C=C2)(C)C)=O)c1
M END
