Mrv1652309032220382D 43 49 0 0 1 0 999 V2000 -1.2437 1.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4386 1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5847 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3713 -0.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4341 -1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9546 -0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8169 0.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 1.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4526 0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 1.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8271 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 -0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2724 -1.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5457 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1287 -0.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2983 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 0.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6093 -0.0918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2157 -0.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4687 -0.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1214 0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3955 -0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7013 -1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4397 -1.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0197 -2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8083 -2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9888 -1.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -3.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4776 -3.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7819 -2.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9724 -3.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9285 -3.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5746 -4.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3374 -4.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9482 -4.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6576 -1.8797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0193 -2.4242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7775 -2.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9641 -1.3885 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 10 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 18 23 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 32 37 1 0 0 0 0 37 38 1 0 0 0 0 34 39 1 0 0 0 0 39 40 1 0 0 0 0 6 40 1 0 0 0 0 40 41 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 5 43 1 0 0 0 0 M END > NP0180298 > NP-MRD > COC1=CC2=C3C=C1OC1=C(OC)C(OC)=CC4=C1C(CC1=CC=C(OC5=CC(C[C@H]3NCC2)=CC=C5O)C=C1)=NCC4 > InChI=1S/C35H34N2O6/c1-39-30-17-22-10-12-36-26-15-21-6-9-28(38)29(16-21)42-24-7-4-20(5-8-24)14-27-33-23(11-13-37-27)18-32(40-2)34(41-3)35(33)43-31(30)19-25(22)26/h4-9,16-19,26,36,38H,10-15H2,1-3H3/t26-/m1/s1 > MQXGGMRXWGLPJV-AREMUKBSSA-N > C35H34N2O6 > 578.665 > 578.241686823 > 6 > 77 > 59.56461911475009 > 1 > 2 > 0 > 0 > (1R)-20,21,25-trimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{9,12}.1^{3,7}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3,5,7(36),9,11,14,18(33),19,21,24(32),25,27(31),34-tridecaen-6-ol > 4.857415353528976 > 0 > 7 > 1 > 8.419588488324584 > 9.173525223073673 > 90.77000000000001 > 164.83559999999997 > 3 > 0 > (1R)-20,21,25-trimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{9,12}.1^{3,7}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3,5,7(36),9,11,14,18(33),19,21,24(32),25,27(31),34-tridecaen-6-ol > 0 > NP0180298 > (1r)-20,21,25-trimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,14,18(33),19,21,24(32),25,27(31),34-tridecaen-6-ol $$$$