Mol:FL4DA9NS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.6070 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0861 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5652 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5652 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0861 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6070 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0443 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4766 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4766 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0443 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0443 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0861 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1137 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9196 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0563 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5850 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1137 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1137 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5850 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0563 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3733 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3733 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9923 -0.8765 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
8 14 1 1 0 0 0
9 15 1 6 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 15 1 0 0 0 0
14 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 8
ID FL4DA9NS0006
KNApSAcK_ID C00008731
NAME (2R,3R)-Pinobanksin 3-acetate
CAS_RN 52117-69-8
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES CC(=O)OC(C(=O)2)C(Oc(c3)c(c(O)cc(O)3)2)c(c1)cccc1
M END
