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