Mol:FL5FDCNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 0 0 0 0 0 0999 V2000 -1.1294 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1294 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5395 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5395 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5395 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7858 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7858 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3526 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6855 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1292 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1292 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6855 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2416 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7977 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 -0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7977 -1.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8278 -1.9633 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 3 18 1 0 0 0 0 15 19 1 0 0 0 0 1 20 1 0 0 0 0 16 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 2 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 8 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 1.306 -1.1483 S SKP 8 ID FL5FDCNI0003 KNApSAcK_ID C00005032 NAME Broussoflavonol B CAS_RN 99217-70-6 FORMULA C26H28O7 EXACTMASS 452.18350325 AVERAGEMASS 452.49631999999997 SMILES C(C)(C)=CCc(c(O)3)c(c(c(O)c3CC=C(C)C)1)OC(c(c2)ccc(O)c(O)2)=C(OC)C1=O M END