Mol:FLIC1LNP0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -0.7638 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7638 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2075 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2075 0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9051 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9051 0.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 -1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2071 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2071 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 -0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2075 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8603 -1.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 -1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8603 -0.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3201 0.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4233 -1.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7638 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3201 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9098 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3201 1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4992 1.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6769 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2639 0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6769 1.8118 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 1 2 1 0 0 0 0 6 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 21 1 1 0 0 0 0 12 22 1 0 0 0 0 17 23 2 0 0 0 0 23 24 1 0 0 0 0 24 21 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FLIC1LNP0011 KNApSAcK_ID C00009737 NAME Nitidulan CAS_RN 66446-91-1 FORMULA C26H28O5 EXACTMASS 420.193674006 AVERAGEMASS 420.49752 SMILES Oc(c2)c(C(C5)Cc(c4O5)ccc(c43)OC(C)(CCC=C(C)C)C=C3)cc(c21)OCO1 M END