Mol:FLIA2CNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 32 0 0 0 0 0 0 0 0999 V2000
-1.5725 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5725 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4599 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4599 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0964 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6527 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6527 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0964 1.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2088 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2088 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8036 -1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3984 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3984 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8036 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0964 -0.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5725 1.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1288 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1288 1.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7788 2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9088 1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9464 -1.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6294 -2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9088 -1.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2870 0.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5725 -0.2642 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
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 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 1 0 0 0 0
25 26 1 0 0 0 0
26 14 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 ^OCH3
M SBV 1 31 -6.2016 3.2037
S SKP 8
ID FLIA2CNP0001
KNApSAcK_ID C00009441
NAME Durmillone
CAS_RN 7731-09-1
FORMULA C22H18O6
EXACTMASS 378.110338308
AVERAGEMASS 378.37472
SMILES c(O5)(c1OC5)cc(C(=C4)C(c(c(O4)3)cc(OC)c(c32)OC(C=C2)(C)C)=O)cc1
M END
