Mol:FL64A9NP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
1.3486 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 0.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0726 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0726 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3486 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7832 0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4938 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4938 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7832 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1304 0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0592 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7698 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7698 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0592 0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3921 0.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5218 -0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1304 1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8261 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5218 1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5218 0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8261 0.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 -1.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3525 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7997 -1.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5141 -1.9902 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
3 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 4 1 0 0 0 0
5 23 1 0 0 0 0
8 11 1 1 0 0 0
10 25 1 0 0 0 0
6 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 1 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
11 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 11 1 0 0 0 0
23 24 1 0 0 0 0
25 26 1 0 0 0 0
S SKP 8
ID FL64A9NP0003
KNApSAcK_ID C00013267
NAME Xuulanin;2H,(6R,8S)-rel-7,8-Dihydro-5,6-dimethoxy-2,2-dimethyl-8-phenyl-6H-benzo[1,2-b:5,4-b']dipyran
CAS_RN 299410-78-9
FORMULA C22H24O4
EXACTMASS 352.167459256
AVERAGEMASS 352.42356
SMILES c(c4)(cccc4)C(O1)CC(c(c2OC)c1cc(O3)c(C=CC3(C)C)2)OC
M END
