Mol:FL1CHYNP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.2343 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2343 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6780 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1217 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1217 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6780 0.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5654 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0091 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5470 -0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1031 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6641 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2251 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2251 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6641 0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1031 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5654 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5470 -1.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7860 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7860 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7906 0.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3469 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3469 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7906 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6978 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9270 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3223 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3223 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7079 0.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9270 0.2990 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
9 17 2 0 0 0 0
13 18 1 0 0 0 0
12 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 23 2 0 0 0 0
23 2 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
15 26 1 0 0 0 0
19 27 2 0 0 0 0
27 28 1 0 0 0 0
28 18 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL1CHYNP0005
KNApSAcK_ID C00007009
NAME Glyinflanin D
CAS_RN 142750-25-2
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES C(=C4)c(c3OC4(C)C)cc(c(c3)O)C(CC(=O)c(c2)cc(C=1)c(c2)OC(C1)(C)C)=O
M END
