Mol:FL1CQUNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-1.0581 -1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0581 -1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3437 -2.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3708 -1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3708 -1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3437 -0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3437 -2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7192 -2.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4439 -1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5042 -0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6693 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3437 0.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8782 -2.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0256 -0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0256 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7295 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7295 1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4439 1.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4439 2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7295 2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0150 2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0150 1.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6261 -0.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
2 8 1 0 0 0 0
8 9 1 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
6 12 2 0 0 0 0
4 13 2 0 0 0 0
5 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 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 17 1 0 0 0 0
14 23 1 0 0 0 0
S SKP 8
ID FL1CQUNS0003
KNApSAcK_ID C00014585
NAME Desmosdumotin C
CAS_RN 426823-13-4
FORMULA C19H20O4
EXACTMASS 312.136159128
AVERAGEMASS 312.3597
SMILES C(=C(C2=O)C(C(C(=C2C)OC)(C)C)=O)(O)C=Cc(c1)cccc1
M END
