Mol:FL6DPTNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 28 0 0 0 0 0 0 0 0999 V2000
-1.0505 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0505 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4942 -0.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0621 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0621 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4942 0.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6184 -0.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1747 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1747 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6184 0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6069 0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1632 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1632 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6069 -0.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7195 0.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7310 0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7310 1.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1747 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6184 1.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2871 1.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2871 0.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7195 0.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9460 -0.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2316 -1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
4 7 1 1 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
5 10 1 6 0 0 0
11 1 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 2 1 0 0 0 0
12 15 1 0 0 0 0
9 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 10 1 0 0 0 0
17 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
22 20 1 0 0 0 0
3 23 1 6 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 27
M SMT 1 OCH3
M SBV 1 27 -7.2938 2.6717
S SKP 8
ID FL6DPTNS0006
KNApSAcK_ID C00009045
NAME 4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol
CAS_RN -
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES O(c45)C(C(C(c4ccc(O)c5)OC)3)c(c2CO3)ccc(c21)OCO1
M END
