Ketcher 02131816362D 1 1.00000 0.00000 0 42 47 0 0 0 999 V2000 15.2236 -6.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2236 -5.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3308 -5.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3308 -7.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1165 -7.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0095 -6.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0095 -5.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1165 -5.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1165 -8.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4378 -6.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4378 -5.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3308 -8.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9024 -7.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7952 -6.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7952 -5.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9024 -5.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6882 -5.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6882 -4.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7952 -3.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9024 -4.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4007 -5.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4038 -6.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4038 -7.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4344 -6.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0095 -3.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4272 -3.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5449 -5.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6521 -5.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6521 -6.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5449 -7.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 -5.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9965 -6.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3308 -4.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4404 -4.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4404 -3.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2491 -2.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6193 -2.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8143 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9099 -2.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0752 -3.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3898 -2.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0752 -3.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 11 2 0 0 0 10 4 2 0 0 0 4 1 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 2 1 0 0 0 5 9 2 0 0 0 11 10 1 0 0 0 4 12 1 0 0 0 6 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 7 1 0 0 0 15 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 16 1 0 0 0 20 25 1 0 0 0 17 21 1 0 0 0 14 22 1 0 0 0 22 21 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 18 26 1 0 0 0 11 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 10 1 0 0 0 28 31 1 0 0 0 28 32 1 0 0 0 3 33 1 0 0 0 33 34 1 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 35 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 2 0 0 0 40 41 1 0 0 0 40 42 1 0 0 0 M END > CHEBI:140134 > artoindonesianin A > 2 > C35H38O7 > 570.673 > 570.26175 > 0 > C12=C(C(=C3C(=C1O)C=CC(O3)(C)C)C/C=C(\C)/CCC=C(C)C)OC4=C(C2=O)CC5C6=C4C(=CC(=C6OC5(C)C)O)O > InChI=1S/C35H38O7/c1-17(2)9-8-10-18(3)11-12-20-30-19(13-14-34(4,5)41-30)28(38)27-29(39)21-15-22-25-26(32(21)40-31(20)27)23(36)16-24(37)33(25)42-35(22,6)7/h9,11,13-14,16,22,36-38H,8,10,12,15H2,1-7H3/b18-11+ > QBDLPAZRIQKEQK-WOJGMQOQSA-N > LMPK12111516 $$$$