Mol:FLID1CNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 31 0 0 0 0 0 0 0 0999 V2000 -1.9329 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9329 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2923 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2923 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 0.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4431 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0379 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0379 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4431 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2582 -1.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 0.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9329 1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6911 -1.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0948 -1.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6911 -0.6024 0.0000 O 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 18 1 1 0 0 0 0 12 17 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 15 1 0 0 0 0 S SKP 8 ID FLID1CNP0002 KNApSAcK_ID C00009650 NAME Leiocarpin CAS_RN 34198-69-1 FORMULA C21H18O5 EXACTMASS 350.115423686 AVERAGEMASS 350.36462 SMILES c(C36)(c2)c(OCC(c(c(O6)4)cc(O5)c(OC5)c4)3)c(c(c2)1)C=CC(C)(C)O1 M END