Mol:FL5F1GNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 31 0 0 0 0 0 0 0 0999 V2000 -2.2227 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2227 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6664 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1101 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1101 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6664 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6926 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6926 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4388 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 0.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3152 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3152 0.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8664 1.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 1.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8685 -1.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7345 -1.8498 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 6 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 1 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 8 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 30 M SMT 2 OCH3 M SVB 2 30 0.2014 -1.056 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 1.409 1.6718 S SKP 8 ID FL5F1GNF0001 KNApSAcK_ID C00005093 NAME 3'-Methoxypongapin CAS_RN 60077-58-9 FORMULA C20H14O7 EXACTMASS 366.073952802 AVERAGEMASS 366.32096 SMILES COc(c54)cc(cc(OCO5)4)C(O3)=C(C(=O)c(c31)ccc(o2)c1cc2)OC M END