Mol:FL1C9GNS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-3.5911 0.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5911 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8767 -1.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1622 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1622 0.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8767 0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4477 -1.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4477 -1.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7333 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0134 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7221 -0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4309 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1509 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1623 0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4536 0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7335 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4477 0.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4650 1.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1851 1.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8824 0.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5911 0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8597 -1.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5798 -0.6213 0.0000 C 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 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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
5 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
S SKP 8
ID FL1C9GNS0001
KNApSAcK_ID C00014428
NAME Crotaoprostrin;2'-Hydroxy-3,4,5-methoxychalcone
CAS_RN 142955-68-8
FORMULA C18H18O5
EXACTMASS 314.115423686
AVERAGEMASS 314.33252
SMILES c(c1OC)(OC)cc(C=CC(=O)c(c2)c(O)ccc2)cc1OC
M END
</pre>
