Mol:FL2F1ANN0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-4.3145 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3145 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6000 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8856 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8856 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6000 0.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1711 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4566 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4566 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1711 0.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9497 0.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1711 -1.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7102 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0042 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7187 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7187 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0042 1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7102 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5033 0.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9883 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5033 1.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8020 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2145 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0395 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4520 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0395 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2145 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0790 0.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6082 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6082 0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
1 11 1 0 0 0 0
7 12 2 0 0 0 0
9 13 1 6 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
15 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 16 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
11 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL2F1ANN0002
KNApSAcK_ID C00014713
NAME Lophirone J;(S)-2,3-Dihydro-7-methoxy-2-[2-(4-methoxyphenyl)-5-benzofuranyl]-4H-1-benzopyran-4-one
CAS_RN 155548-32-6
FORMULA C25H20O5
EXACTMASS 400.13107375
AVERAGEMASS 400.4233
SMILES c(c23)c(oc2ccc(C(O5)CC(c(c54)ccc(c4)OC)=O)c3)c(c1)ccc(c1)OC
M END
