Mol:FL3FALNR0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.1034 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1034 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 -0.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6595 0.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 -0.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6595 -0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2156 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7705 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3254 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7705 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3254 1.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6781 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2344 -0.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6781 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2342 -1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2342 -1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7903 -0.9728 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 25 15 1 0 0 0 0 8 26 1 0 0 0 0 26 27 1 0 0 0 0 27 13 1 0 0 0 0 26 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 FL3FALNR0004 KNApSAcK_ID C00004099 NAME Isocyclomulberrin;(+)-3,8,10-Trihydroxy-9-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one CAS_RN 152186-79-3 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES CC(C)=CCc(c(O)1)c(c(C2=O)c(OC(c43)=C2C(C=C(C)C)Oc3cc(O)cc4)c1)O M END