Mol:FL3FA9NC0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -1.5018 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5018 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 -1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3892 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3892 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 -0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1671 -1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1671 -0.3265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1671 -2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2795 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4135 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4135 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2795 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9791 -0.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2951 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 0.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4135 0.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5611 0.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7949 2.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0801 2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2848 0.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 1.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7683 1.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0705 2.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -1.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -2.1842 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 6 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 1 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 19 24 1 1 0 0 0 18 25 1 1 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 21 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 3 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 36 M SMT 1 OCH3 M SBV 1 36 -7.5028 7.1118 S SKP 8 ID FL3FA9NC0003 KNApSAcK_ID C00004097 NAME Enantiomultijugin;(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 145264-18-2 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
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