Mol:FL3FA9NP0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.3082 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2641 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7338 1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 3.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1661 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 2.2687 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 2 1 0 0 0 0
9 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 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
6 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 4 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
21 26 1 6 0 0 0
26 28 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
20 30 1 1 0 0 0
30 32 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
S SKP 8
ID FL3FA9NP0006
KNApSAcK_ID C00013429
NAME (9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
CAS_RN 613246-07-4
FORMULA C25H24O8
EXACTMASS 452.14711774399996
AVERAGEMASS 452.45326
SMILES O(c42)C(=CC(=O)c2c(cc(c43)OC(C(OC(C)=O)C3OC(C)=O)(C)C)OC)c(c1)cccc1
M END
