Mol:FL4D19NP0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.3078 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7869 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2660 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2660 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7869 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3078 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2548 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7757 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7757 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2548 0.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2961 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2548 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8305 0.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3648 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3648 0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8305 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2961 0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8282 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7869 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3078 1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8282 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2430 1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3648 0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2775 -0.8366 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
8 24 1 0 0 0 0
S SKP 8
ID FL4D19NP0001
KNApSAcK_ID C00008606
NAME 3-Hydroxyisolonchocarpin
CAS_RN 70215-98-4
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(O3)(c(C(C(C3c(c4)cccc4)O)=O)2)c(c(cc2)1)C=CC(C)(C)O1
M END
</pre>
