Mol:FL631CNC0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-0.7038 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4144 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1250 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1250 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4144 -2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7038 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8356 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5462 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5462 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8356 -2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1354 -2.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0068 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0068 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7038 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4144 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7173 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4279 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4279 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7173 0.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1869 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8619 -0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5369 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5369 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8619 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1869 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1354 1.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 -1.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0243 0.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0243 1.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8619 2.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5763 2.6108 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 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
3 7 2 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 4 2 0 0 0 0
9 11 1 0 0 0 0
1 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 2 1 0 0 0 0
12 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 13 1 0 0 0 0
18 20 1 6 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
24 30 1 0 0 0 0
23 26 1 0 0 0 0
17 27 1 1 0 0 0
15 28 1 0 0 0 0
28 29 1 0 0 0 0
30 31 1 0 0 0 0
S SKP 8
ID FL631CNC0003
KNApSAcK_ID C00013265
NAME Shanciol;trans-(-)-3,4,5,6-Tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-11-methoxy-2H-phenanthro[2,1-b]pyran-3,8-diol
CAS_RN 173294-75-2
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES C(C(O)4)(c(c5)cc(OC)c(O)c5)Oc(c3C4)cc(c(c32)c(c(CC2)1)ccc(c1)O)OC
M END
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