Mrv1533004191523182D 24 26 0 0 0 0 999 V2000 0.8986 -2.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9592 -2.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6771 -3.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 3.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 3.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5955 2.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 4 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 14 18 1 0 0 0 0 18 19 2 0 0 0 0 11 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 2 24 1 0 0 0 0 9 24 1 0 0 0 0 M END > NP0137366 > NP-MRD > CC1(CO)C(O)CCC2(C)C(CC=C3C=COC3=O)C(=C)CCC12 > InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5,9,11,15-17,21-22H,1,4,6-8,10,12H2,2-3H3 > YIIRVUDGRKEWBV-UHFFFAOYSA-N > C20H28O4 > 332.44 > 332.198759382 > 3 > 52 > 36.64811224218947 > 1 > 2 > 0 > 1 > 3-{2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethylidene}-2,3-dihydrofuran-2-one > 3.20 > 2.5932968646666668 > -3.70 > 0 > 3 > 0 > 15.270309029195626 > 14.485921094216756 > -2.7854554977550405 > 66.75999999999999 > 93.81609999999998 > 3 > 1 > 6.67e-02 g/l > 3-{2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethylidene}furan-2-one > 0 > NP0137366 > Dehydroandrographolide $$$$