Mol:FL6DPTNS0006
From Metabolomics.JP
<pre> 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
</pre>