Mol:FL1C1ANN0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.4417 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4417 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1146 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6709 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6709 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1146 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5749 0.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 -0.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1310 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6919 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1310 -0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6919 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2446 1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7972 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7972 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2446 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2446 -0.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3498 1.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2818 -0.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6594 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2818 0.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3015 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6431 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6678 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6431 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3498 0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4803 -0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0506 -1.1384 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
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
14 18 1 0 0 0 0
4 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 5 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
19 29 1 0 0 0 0
29 30 2 0 0 0 0
S SKP 8
ID FL1C1ANN0001
KNApSAcK_ID C00007165
NAME Lophirone D
CAS_RN 122127-70-2
FORMULA C24H16O6
EXACTMASS 400.094688244
AVERAGEMASS 400.38024
SMILES c(c2)c(cc(c(C=O)3)c2oc3c(c4)ccc(c4)O)C=CC(=O)c(c1O)ccc(c1)O
M END
