Mol:FLIDHXNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 30 0 0 0 0 0 0 0 0999 V2000
-1.7986 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7986 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2982 -0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7978 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7978 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2982 0.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2973 -0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2031 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2031 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2973 0.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1772 -0.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3975 -0.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6326 -0.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7372 -1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3119 -1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5470 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2073 -0.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6884 0.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7406 -0.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7414 -1.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2418 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1217 -0.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4493 1.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0325 1.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2418 1.0397 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 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 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 5 1 0 0 0 0
7 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 8 1 0 0 0 0
12 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 13 1 0 0 0 0
8 18 1 6 0 0 0
7 19 1 6 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 16 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 1 1 0 0 0 0
S SKP 8
ID FLIDHXNS0002
KNApSAcK_ID C00002506
NAME (-)-Acanthocarpan
CAS_RN 70285-12-0
FORMULA C17H12O7
EXACTMASS 328.058302738
AVERAGEMASS 328.27297999999996
SMILES C(O1)Oc(c2)c1cc(O3)c2C(O)(C6)C([H])3c(c4)c(O6)c(O5)c(OC5)c4
M END
