Mol:FL3FA9ND0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 38 0 0 0 0 0 0 0 0999 V2000
-0.8216 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8216 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5361 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5361 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1072 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6073 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6073 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1072 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5361 0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2506 -0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9651 0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9651 0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2506 1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5361 0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1072 -2.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2506 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2506 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5361 -2.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2506 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5361 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2506 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9651 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9651 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9230 1.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2586 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0791 2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2586 2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7189 2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4991 1.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2506 0.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4995 0.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0686 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1004 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6808 0.7665 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 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 31 1 1 0 0 0
21 30 1 1 0 0 0
31 33 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
S SKP 8
ID FL3FA9ND0002
KNApSAcK_ID C00013472
NAME Tephrodin;(8aR,11aR)-rel-(-)-11a-(Acetyloxy)-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 35820-35-0
FORMULA C25H22O8
EXACTMASS 450.13146768
AVERAGEMASS 450.43738
SMILES c(c13)c(c(C4=O)c(OC(c(c5)cccc5)=C4)c1C(C2(CO3)[H])(OC(C)=O)C(=O)C(O2)(C)C)OC
M END
