Mol:FL3FA9NF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -0.5851 -1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 -0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 -1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 -1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 -1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 -0.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 -0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2728 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9873 -0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9873 0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2728 1.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 -2.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4711 0.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2915 0.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6271 0.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1355 1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7486 2.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4631 1.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1117 2.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9873 0.8757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7559 0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4457 1.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3348 2.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0332 2.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 2.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 -2.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -2.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 17 2 0 0 0 0 16 4 2 0 0 0 0 4 1 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 5 15 2 0 0 0 0 17 16 1 0 0 0 0 3 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 19 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 21 28 1 1 0 0 0 19 26 1 1 0 0 0 18 27 1 1 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 4 32 1 0 0 0 0 32 33 1 0 0 0 0 S SKP 8 ID FL3FA9NF0003 KNApSAcK_ID C00013469 NAME Multijugin;(7aR,10S,10aS)-rel-(+)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one CAS_RN 58276-82-7 FORMULA C24H22O7 EXACTMASS 422.136553058 AVERAGEMASS 422.42728 SMILES C(c23)([H])(C(OC(C)=O)1)C(Oc(cc(c(C(=O)4)c(OC(c(c5)cccc5)=C4)3)OC)2)(OC(C)(C)1)[H] M END