Mol:FL1CA8NP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
3.0866 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0866 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1992 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1992 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9534 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5097 -0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3973 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8364 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3973 -1.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8364 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2689 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2689 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -1.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8214 -0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3740 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3740 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9253 0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8214 0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3889 0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0022 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5524 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1025 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6515 0.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1992 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6515 0.9488 0.0000 C 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 2 0 0 0 0
20 19 1 0 0 0 0
3 21 1 0 0 0 0
20 22 1 0 0 0 0
14 23 1 0 0 0 0
12 24 1 0 0 0 0
6 25 1 0 0 0 0
20 23 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
20 26 1 0 0 0 0
S SKP 8
ID FL1CA8NP0002
KNApSAcK_ID C00007150
NAME Flemiwallichin B
CAS_RN 58264-34-9
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c21)(c(C(=O)C=Cc(c(O)3)cc(cc3)O)c(O)cc1OC(C)(C=C2)CCC=C(C)C)O
M END
