Mol:FLID1ANP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 34 0 0 0 0 0 0 0 0999 V2000
-1.8568 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8568 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3005 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7442 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7442 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3005 1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1879 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3684 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3684 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1879 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9245 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9245 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5193 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1141 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1141 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5193 0.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1821 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4131 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9694 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9694 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4131 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9694 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4312 1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7083 -0.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5193 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1141 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7083 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4312 -1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7083 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 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 5 1 0 0 0 0
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 2 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
14 24 1 0 0 0 0
13 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 24 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FLID1ANP0005
KNApSAcK_ID C00009665
NAME Folinin
CAS_RN 26992-36-9
FORMULA C25H26O4
EXACTMASS 390.18310931999997
AVERAGEMASS 390.47153999999995
SMILES O(C(C)(C)6)c(c(CC6)1)cc(O5)c(C(C(C5)2)Oc(c34)c2ccc3OC(C)(C)C=C4)c1
M END
