Mrv0541 05061305222D 28 30 0 0 0 0 999 V2000 0.3230 -1.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3064 -2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 -2.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9267 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7959 0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 -2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5837 1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3245 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 1.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 0.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7108 -2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0368 -1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7983 1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 -0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3637 0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8963 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6601 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9074 -1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3613 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3098 -2.0410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1547 -0.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3119 -0.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 0.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1045 -0.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0626 -0.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 2 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 7 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 10 1 0 0 0 0 16 14 2 0 0 0 0 17 13 2 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 19 18 1 0 0 0 0 20 11 1 0 0 0 0 21 4 1 0 0 0 0 21 5 1 0 0 0 0 21 19 1 0 0 0 0 22 12 2 0 0 0 0 23 15 2 0 0 0 0 24 20 2 0 0 0 0 25 14 1 0 0 0 0 25 19 1 0 0 0 0 26 15 1 0 0 0 0 26 17 1 0 0 0 0 27 18 1 0 0 0 0 27 20 1 0 0 0 0 28 12 1 0 0 0 0 28 21 1 0 0 0 0 M END > HMDB0030601 > hmdb > C\C=C(\C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(C)=O > InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(25-19(18)21(4,5)28-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6- > FFCDTHIJWHJUQJ-WDZFZDKYSA-N > C21H22O7 > 386.3952 > 386.136553058 > 4 > 39.665028503082716 > 1 > 0 > 0 > 1 > 8-[2-(acetyloxy)propan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl (2Z)-2-methylbut-2-enoate > 3.79 > 3.467460104999999 > -4.66 > 1 > 3 > 0 > -4.902810281095004 > 88.13000000000001 > 100.52969999999996 > 6 > 1 > 8.41e-03 g/l > 8-[2-(acetyloxy)propan-2-yl]-2-oxo-8H,9H-furo[2,3-h]chromen-9-yl (2Z)-2-methylbut-2-enoate > 0 > HMDB0030601 > Edultin > Cnidimin; Edultin; Libanotin $$$$