Mol:FL1CQUNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 31 0 0 0 0 0 0 0 0999 V2000
-1.8724 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8724 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1579 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4434 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4434 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1579 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5868 -0.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1579 2.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8724 2.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 -0.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9855 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7000 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4145 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4145 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1289 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8434 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8434 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1289 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 2.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6882 -0.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0309 -1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8434 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7488 -1.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6276 -0.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9097 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3794 -2.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6616 -2.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4330 -1.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
2 7 2 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
4 10 2 0 0 0 0
5 11 2 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 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
11 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL1CQUNI0002
KNApSAcK_ID C00014587
NAME Tunicatachalcone
CAS_RN 329038-96-2
FORMULA C26H30O4
EXACTMASS 406.21440944799997
AVERAGEMASS 406.51399999999995
SMILES COC(C1=C(O)C=Cc(c2)cccc2)=CC(C(CC=C(C)C)(CC=C(C)C)C1=O)=O
M END
