Mol:FL6F1CNM0002
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.4578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2941 -0.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 0.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1101 2.3187 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
1 17 1 0 0 0 0
6 18 1 0 0 0 0
14 19 1 0 0 0 0
15 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 22
M SMT 1 OCH3
M SVB 1 22 1.6687 1.4214
S SKP 8
ID FL6F1CNM0002
KNApSAcK_ID C00008779
NAME 7,4'-Dihydroxy-3'-methoxy-8-methylflavan
CAS_RN 84638-51-7
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c(O)3)cc(cc3)[C@H](C1)Oc(c(C)2)c(ccc(O)2)C1
M END
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