Mrv1652304282201292D 31 34 0 0 1 0 999 V2000 5.0352 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3052 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7651 1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2251 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4951 -1.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2251 -2.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7651 -3.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 -2.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8748 0.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 2.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 2.1275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2546 1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9845 1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5246 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4444 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0957 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 0.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 2.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7946 3.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 4.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9845 3.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5753 -0.8348 0.0000 O 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 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 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 9 11 1 0 0 0 0 5 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 4 15 1 0 0 0 0 15 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 13 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 23 24 2 0 0 0 0 19 24 1 0 0 0 0 23 25 1 0 0 0 0 17 26 1 6 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 3 30 1 0 0 0 0 1 31 1 0 0 0 0 M END > NP0052440 > NP-MRD > CC(C)=CCC1=C2OC3=C([C@H](OC4=C3C=CC(O)=C4)C=C(C)C)C(=O)C2=C(O)C=C1O > InChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-18(28)21-23(29)22-20(9-13(3)4)30-19-10-14(26)6-8-16(19)25(22)31-24(15)21/h5-6,8-11,20,26-28H,7H2,1-4H3/t20-/m1/s1 > SYFDWXWLRGHYAJ-HXUWFJFHSA-N > C25H24O6 > 420.461 > 420.157288493 > 6 > 55 > 44.452865083926255 > 1 > 3 > 0 > 1 > (11R)-1,3,8-trihydroxy-4-(3-methylbut-2-en-1-yl)-11-(2-methylprop-1-en-1-yl)-11,12-dihydro-5,10-dioxatetraphen-12-one > 4.47 > 5.331954428333335 > -4.74 > 0 > 4 > -1 > 7.98516922719935 > 6.346663769228539 > -4.822474476523751 > 96.22000000000001 > 120.2788 > 3 > 0 > 7.73e-03 g/l > (11R)-1,3,8-trihydroxy-4-(3-methylbut-2-en-1-yl)-11-(2-methylprop-1-en-1-yl)-11H-5,10-dioxatetraphen-12-one > 0 > NP0052440 > Cyclomulberrin $$$$