Mol:FLIAAANF0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.1469 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1469 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5906 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0343 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0343 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5906 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5221 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0784 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0784 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5221 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6344 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6344 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2292 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8240 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8240 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2292 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5221 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5906 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4182 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7578 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1353 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7578 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7775 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0985 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0985 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4182 0.5150 0.0000 O 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 2 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FLIAAANF0001
KNApSAcK_ID C00009501
NAME Erythrinin C
CAS_RN 63807-85-2
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES Oc(c1)ccc(C(=C4)C(c(c(O4)3)c(O)c(c2c3)CC(C(C)(C)O)O2)=O)c1
M END
</pre>
