Mol:FL3FALNP0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -1.3800 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2674 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2674 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8452 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8452 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 -0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0487 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 -0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0487 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9413 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 -0.9880 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 18 15 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 2 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 13 26 1 0 0 0 0 8 27 1 0 0 0 0 27 26 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 FL3FALNP0012 KNApSAcK_ID C00004098 NAME Isocyclomorusin;(+)-3,8-Dihydroxy-11,11-dimethyl-6-(2-methyl-1-propenyl)-6H,7H,11H-bis[1]benzopyrano[4,3-b:6',7'-e]pyran-7-one CAS_RN 152186-78-2 FORMULA C25H22O6 EXACTMASS 418.141638436 AVERAGEMASS 418.43858 SMILES c(c32)(C(C(C(C=C(C)C)4)=C(c(c5)c(cc(O)c5)O4)O3)=O)c(O)c(c1c2)C=CC(O1)(C)C M END