Mol:FL1DE9NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-2.0176 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0176 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9096 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9096 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3559 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1966 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7480 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2981 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8365 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3749 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3749 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8365 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2981 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3559 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 -1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0436 0.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3749 0.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8750 1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1868 1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7515 2.1459 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
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 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
5 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -1.1868 1.2456
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.3749 0.9721
S SKP 8
ID FL1DE9NS0001
KNApSAcK_ID C00007941
NAME Dihydropashanone
CAS_RN 41997-41-5
FORMULA C17H18O5
EXACTMASS 302.115423686
AVERAGEMASS 302.32182
SMILES COc(c1)c(OC)c(O)c(C(=O)CCc(c2)cccc2)c(O)1
M END
