Mol:FLID1ANF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 26 0 0 0 0 0 0 0 0999 V2000
-1.9672 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9672 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4109 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8546 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8546 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4109 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2983 0.0104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2580 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2580 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2983 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8141 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8141 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4089 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0037 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0037 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4089 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2966 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5781 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9557 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5781 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8697 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7358 -1.6763 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 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 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 2 0 0 0 0
20 2 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 2.2412 -0.8826
S SKP 8
ID FLID1ANF0003
KNApSAcK_ID C00010003
NAME 9-O-Methylneodunol
CAS_RN 53833-80-0
FORMULA C18H14O4
EXACTMASS 294.089208936
AVERAGEMASS 294.30136
SMILES c(c45)c(c1cc4occ5)C(O3)C(c(c32)ccc(OC)c2)CO1
M END
