Mrv1652304282219302D 57 63 0 0 1 0 999 V2000 6.0770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2732 1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8855 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 -0.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1058 -1.1265 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 4 5 1 0 0 0 0 5 6 1 1 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 4 14 1 0 0 0 0 12 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 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 24 25 1 0 0 0 0 25 26 2 0 0 0 0 21 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 11 29 1 0 0 0 0 29 30 1 0 0 0 0 31 30 1 6 0 0 0 31 32 1 0 0 0 0 10 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 31 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 35 39 1 6 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 44 49 1 0 0 0 0 47 50 1 0 0 0 0 32 51 1 6 0 0 0 11 52 1 6 0 0 0 4 53 1 6 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 1 56 1 0 0 0 0 1 57 1 0 0 0 0 M END > NP0072130 > NP-MRD > CC1(C)CC[C@@]2(CC[C@]3(COC(=O)\C=C\C4=CC=C(O)C(O)=C4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O > InChI=1S/C48H60O9/c1-43(2)23-24-47(42(54)55)25-26-48(29-56-40(52)17-11-31-9-15-35(50)36(51)27-31)33(34(47)28-43)14-16-38-45(5)21-20-39(44(3,4)37(45)19-22-46(38,48)6)57-41(53)18-10-30-7-12-32(49)13-8-30/h7-15,17-18,27,34,37-39,49-51H,16,19-26,28-29H2,1-6H3,(H,54,55)/b17-11+,18-10+/t34-,37-,38+,39-,45-,46+,47-,48-/m0/s1 > HQBFUVHKMPXOEV-XXXCOPCQSA-N > C48H60O9 > 780.999 > 780.423733512 > 7 > 117 > 88.41911598836438 > 0 > 4 > 0 > 0 > (4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-6a-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid > 7.65 > 10.471147747666667 > -6.33 > 1 > 7 > -1 > 8.99230235347156 > 4.486440505438021 > -5.9547318749588785 > 150.59 > 220.47730000000007 > 10 > 0 > 3.66e-04 g/l > (4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-6a-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid > 0 > NP0072130 > (+)-Hibicusin $$$$