Mol:FL6D3ANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.0023 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0023 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8897 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8897 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3334 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2229 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2229 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3334 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7790 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3459 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9129 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9129 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3459 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7790 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3334 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4797 0.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4797 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7790 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 1.1146 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
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 1 1 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
8 20 1 1 0 0 0
6 21 1 0 0 0 0
S SKP 8
ID FL6D3ANS0001
KNApSAcK_ID C00009004
NAME Oritin-4beta-ol
CAS_RN 38412-78-1
FORMULA C15H14O6
EXACTMASS 290.07903818
AVERAGEMASS 290.26806
SMILES Oc(c3)ccc(c3)C(O1)C(O)C(O)c(c2)c1c(O)c(O)c2
M END
