Mol:FLID1ANP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 28 0 0 0 0 0 0 0 0999 V2000 -1.5019 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5019 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9456 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3893 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3893 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9456 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7233 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7233 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2794 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2794 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 -1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1729 -0.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0632 -1.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0582 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6145 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6145 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0582 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9978 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0632 0.6849 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 1 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 2 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 S SKP 8 ID FLID1ANP0002 KNApSAcK_ID C00009639 NAME Neorautenol CAS_RN 53766-52-2 FORMULA C20H18O4 EXACTMASS 322.120509064 AVERAGEMASS 322.35452 SMILES c(C53)(c(OCC3c(c4)c(O5)cc(O)c4)1)cc(C=2)c(OC(C2)(C)C)c1 M END