Mol:FL1CA8NP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 3.0866 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9534 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5097 -0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3973 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3973 -1.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2837 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2689 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2689 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2837 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2837 -1.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8214 -0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9253 0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8214 0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3889 0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5524 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1025 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 0.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1992 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 0.9488 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 16 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 20 19 1 0 0 0 0 3 21 1 0 0 0 0 20 22 1 0 0 0 0 14 23 1 0 0 0 0 12 24 1 0 0 0 0 6 25 1 0 0 0 0 20 23 1 0 0 0 0 26 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 20 26 1 0 0 0 0 S SKP 8 ID FL1CA8NP0002 KNApSAcK_ID C00007150 NAME Flemiwallichin B CAS_RN 58264-34-9 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c21)(c(C(=O)C=Cc(c(O)3)cc(cc3)O)c(O)cc1OC(C)(C=C2)CCC=C(C)C)O M END