Mol:FL1C1ANP0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
1.1633 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1633 -0.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7196 -0.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2759 -0.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2759 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7196 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0937 -0.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4626 -0.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6497 -0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2107 -0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6497 -1.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2107 0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7633 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3160 0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3160 -0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7633 -0.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7633 -1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8685 0.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8685 -0.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4198 -0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8322 -0.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3885 -0.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3885 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8322 0.6416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8851 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0343 0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7196 1.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4198 0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7556 0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0343 0.3288 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
14 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 2 0 0 0 0
4 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 5 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
6 27 1 0 0 0 0
18 28 1 0 0 0 0
28 20 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL1C1ANP0010
KNApSAcK_ID C00007097
NAME Glyinflanin G
CAS_RN 164123-53-9
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES c(c1O)(C(C=Cc(c3)cc(C=4)c(OC(C)(C)C4)c3O)=O)ccc(O2)c1C=CC2(C)C
M END
