Ketcher 09272319402D 1 1.00000 0.00000 0 43 47 0 1 0 999 V2000 0.8425 2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0584 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 2.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4121 0.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7091 2.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4172 1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7888 2.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0195 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3926 -0.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0195 1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5487 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1136 2.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7927 2.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 1.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5097 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0195 -1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0195 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9346 1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5097 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0584 1.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8946 3.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 -1.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8425 -2.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -2.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9386 1.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3926 -1.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2907 1.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0183 0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 2.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6508 3.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 2.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3926 0.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 -0.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9775 -2.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0389 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -2.7698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0765 0.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 2 12 1 0 0 0 3 13 1 0 0 0 22 4 1 1 0 0 5 6 1 0 0 0 5 14 1 0 0 0 6 30 1 0 0 0 7 11 1 0 0 0 7 16 1 0 0 0 8 14 1 0 0 0 8 15 1 0 0 0 23 9 1 1 0 0 9 31 1 0 0 0 10 24 1 0 0 0 10 32 1 0 0 0 11 35 1 6 0 0 11 22 1 0 0 0 12 25 2 0 0 0 12 31 1 0 0 0 13 26 2 0 0 0 13 33 1 0 0 0 14 36 1 6 0 0 14 21 1 0 0 0 15 37 1 0 0 0 15 22 1 0 0 0 15 34 1 0 0 0 16 38 1 6 0 0 16 23 1 0 0 0 16 33 1 0 0 0 17 39 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 27 1 6 0 0 18 40 1 0 0 0 18 20 1 0 0 0 18 28 1 1 0 0 19 41 1 6 0 0 19 22 1 0 0 0 19 23 1 0 0 0 20 42 1 0 0 0 20 24 1 0 0 0 20 29 1 0 0 0 21 43 1 6 0 0 21 30 1 0 0 0 21 34 1 0 0 0 23 24 1 0 0 0 24 32 1 0 0 0 M END > CHEBI:197376 > Clerodanoid 484 > Derivative of Areptin A present in adults of Athalia rosae > 2 > C24H36O10 > 484.542 > 484.23085 > 0 > C[C@@]1(C[C@@]([H])([C@]2(COC(C)=O)[C@@]([C@@]([H])([C@]([H])(C([H])(C32CO3)O)O)O)([H])[C@@]1(C)C4(C[C@]5(CCO[C@@]5([H])O4)[H])[H])OC(C)=O)[H] > InChI=1S/C24H36O10/c1-11-7-16(33-13(3)26)23(9-31-12(2)25)19(17(27)18(28)20(29)24(23)10-32-24)22(11,4)15-8-14-5-6-30-21(14)34-15/h11,14-21,27-29H,5-10H2,1-4H3/t11-,14-,15?,16+,17-,18-,19-,20?,21+,22-,23-,24?/m1/s1 > PEGZXMCXQKOLQM-IPPYCWPQSA-N $$$$