Mol:FL5FGCNS0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -1.0000 -0.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9953 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2931 -0.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4276 -0.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4348 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2785 0.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8606 0.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1492 0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7022 0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4229 0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4302 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7221 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5687 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8564 2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 1.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7221 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2931 -1.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 -0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1374 0.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1447 -0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8546 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0098 -2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7022 1.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4144 2.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3691 0.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 1.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3691 1.9094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8592 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 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 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 10 20 1 0 0 0 0 21 11 1 0 0 0 0 19 22 1 0 0 0 0 17 23 1 0 0 0 0 9 24 1 0 0 0 0 24 25 1 0 0 0 0 13 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 14 1 0 0 0 0 21 29 1 0 0 0 0 S SKP 8 ID FL5FGCNS0029 KNApSAcK_ID C00013515 NAME 2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one CAS_RN 244260-16-0 FORMULA C20H18O9 EXACTMASS 402.095082174 AVERAGEMASS 402.35152 SMILES O(C1)c(c2)c(ccc2C(O4)=C(C(c(c43)c(OC)c(c(O)c3OC)OC)=O)OC)O1 M END