Mol:FL631ANS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-1.8191 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8191 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3011 -1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7831 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7831 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3011 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2651 -1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2529 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2529 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2651 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7709 -1.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7709 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2932 -0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8155 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8155 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2932 1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7709 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3371 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3371 0.1458 0.0000 O 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 5 1 0 0 0 0
8 11 1 1 0 0 0
9 12 1 6 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
1 19 1 0 0 0 0
S SKP 8
ID FL631ANS0001
KNApSAcK_ID C00009357
NAME Guibourtinidol;(2R,3S)-4',7-Dihydroxyflavan-3-ol
CAS_RN 251909-54-3
FORMULA C15H14O4
EXACTMASS 258.089208936
AVERAGEMASS 258.26926000000003
SMILES Oc(c3)ccc(c3)C(O1)C(O)Cc(c2)c(cc(O)c2)1
M END
</pre>
