Mol:FLIA1LNP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.8301 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8301 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2737 0.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7174 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7174 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2737 1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1611 0.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3952 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3952 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1611 1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9513 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9513 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5460 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1408 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1408 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5460 0.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1611 -0.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3861 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3864 1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9427 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9427 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5737 1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2978 2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5460 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1408 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7356 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7356 -0.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5737 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9445 -2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 -0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9513 -0.5708 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 2 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 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 11 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 18 2 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 14 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
12 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^OCH3
M SBV 1 34 -6.4591 3.9050
S SKP 8
ID FLIA1LNP0005
KNApSAcK_ID C00009447
NAME Munetone
CAS_RN 5772-07-6
FORMULA C26H24O5
EXACTMASS 416.162373878
AVERAGEMASS 416.46576
SMILES O(c13)C=C(c(c4OC)ccc(O5)c4C=CC5(C)C)C(c1cc(c(c3)2)C=CC(C)(C)O2)=O
M END
