Mol:FL6F1ANS0002
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-1.7719 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7719 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3075 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 0.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2720 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 1.0326 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
9 11 1 0 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
9 17 1 1 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
S SKP 8
ID FL6F1ANS0002
KNApSAcK_ID C00000950
NAME 7,4'-Dihydroxyflavan;Cassiaflavan
CAS_RN 494-48-4
FORMULA C15H14O3
EXACTMASS 242.094294314
AVERAGEMASS 242.26986000000002
SMILES Oc(c3)ccc(c3)C([H])(C1)Oc(c2)c(ccc(O)2)C1
M END
</pre>
