Mol:FL3FA9ND0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-0.7145 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -2.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8158 1.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1514 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9719 2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1514 2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6117 2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3264 1.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5877 1.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.4950 0.0000 H 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 17 2 0 0 0 0
16 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 9 1 0 0 0 0
5 15 2 0 0 0 0
17 16 1 0 0 0 0
4 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 17 1 0 0 0 0
20 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
24 29 2 0 0 0 0
20 30 1 6 0 0 0
21 31 1 6 0 0 0
S SKP 8
ID FL3FA9ND0001
KNApSAcK_ID C00013471
NAME Stachyoidin;(8aR,11aR)-rel-(-)-8a,11a-Dihydro-5-methoxy-10,10-dimethyl-2-phenyl-4H,8H-furo[3,2-d]benzo[1,2-b:3,4-b']dipyran-4,11(10H)-dione
CAS_RN 35820-34-9
FORMULA C23H20O6
EXACTMASS 392.125988372
AVERAGEMASS 392.4013
SMILES C(C)(C)(O1)C(=O)C(c52)([H])C([H])(COc(cc(OC)c(c53)C(C=C(c(c4)cccc4)O3)=O)2)1
M END
