Mol:FL6F1ANS0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-2.0624 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.1698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3935 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 1.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 1.3150 0.0000 C 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.4197 0.449
S SKP 8
ID FL6F1ANS0003
KNApSAcK_ID C00008752
NAME 4'-Hydroxy-7-methoxyflavan
CAS_RN 27348-54-5
FORMULA C16H16O3
EXACTMASS 256.109944378
AVERAGEMASS 256.29643999999996
SMILES COc(c3)cc(O1)c(c3)CC[C@H]1c(c2)ccc(O)c2
M END
</pre>
