Mol:FL1CHYNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.5700 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5700 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4574 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4574 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9011 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3448 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2113 -0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7674 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3284 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8894 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8894 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3284 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7674 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9011 -1.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2113 -1.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4503 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4503 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4503 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0242 -1.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5982 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0242 -2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1472 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7861 1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0473 0.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0613 1.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7843 2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3272 2.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5982 1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 -1.2804 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 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 1 0 0 0 0
13 18 1 0 0 0 0
12 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 1 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
3 31 1 0 0 0 0
S SKP 8
ID FL1CHYNF0001
KNApSAcK_ID C00007011
NAME Glyinflanin F
CAS_RN 164123-52-8
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES C(O)(c(c3)ccc(c3CC=C(C)C)O)=CC(=O)c(c2)c(cc(c21)OC(C(C)(C)O)C1)O
M END
