Mol:FL1D1CNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.2867 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2867 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7327 -0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1787 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1787 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7327 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6250 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0725 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4788 -0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0290 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5674 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1057 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1057 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5674 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0290 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6250 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6440 0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6440 -0.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7327 -1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6440 1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1441 1.9748 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
13 17 1 0 0 0 0
12 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.644 1.1088
S SKP 8
ID FL1D1CNS0002
KNApSAcK_ID C00007935
NAME Dihydrocalythropsin
CAS_RN 151703-05-8
FORMULA C16H16O5
EXACTMASS 288.099773622
AVERAGEMASS 288.29524
SMILES COc(c2)cc(O)c(c2)C(=O)CCc(c1)cc(O)c(O)c1
M END
