Mol:FL1C1ANP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 1.7727 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7727 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8853 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8853 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5158 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0403 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0403 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7066 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7066 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4416 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8118 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8118 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3644 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4416 0.2831 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 17 5 1 0 0 0 0 16 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 15 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 S SKP 8 ID FL1C1ANP0002 KNApSAcK_ID C00007061 NAME Isobavachromene;4-Hydroxylonchocarpin CAS_RN 52801-22-6,56083-03-5 FORMULA C20H18O4 EXACTMASS 322.120509064 AVERAGEMASS 322.35452 SMILES Oc(c3)ccc(c3)C=CC(c(c2O)ccc(c21)OC(C=C1)(C)C)=O M END