Mrv1652304292201152D 46 52 0 0 1 0 999 V2000 -0.2808 -0.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5216 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9306 0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1124 0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4815 0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1085 1.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9074 1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 1.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2343 1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8562 2.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6756 1.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2531 0.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4705 0.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9032 0.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 -0.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2312 -0.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9426 -0.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6328 -0.1584 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7060 0.6384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4471 0.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1038 -1.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8035 -2.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 -2.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4711 -1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8365 -0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2392 -2.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -3.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2781 -4.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 -4.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8681 -3.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9831 -3.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3532 -2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6878 -1.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 -2.4086 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7489 -2.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9043 -1.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1872 -3.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8019 -2.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9022 -4.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -5.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4559 -0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6624 2.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 4 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 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 13 1 6 0 0 0 21 22 1 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 26 27 1 0 0 0 0 27 28 2 0 0 0 0 23 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 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 1 0 0 0 0 35 36 1 0 0 0 0 2 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 1 39 1 0 0 0 0 37 40 1 0 0 0 0 34 41 2 0 0 0 0 30 41 1 0 0 0 0 31 42 1 0 0 0 0 42 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 11 46 1 0 0 0 0 M CHG 2 20 1 37 1 M END > NP0078135 > NP-MRD > COC1=CC2=C3C=C1OC1=C(O)C=C4[C@H](CC5=CC=C(OC6=C(OC)C=CC(CC3=[N+](C)CC2)=C6)C=C5)[N+](C)(C)CCC4=C1OC > InChI=1S/C38H41N2O6/c1-39-15-13-25-20-34(43-5)36-22-28(25)30(39)17-24-9-12-33(42-4)35(19-24)45-26-10-7-23(8-11-26)18-31-29-21-32(41)38(46-36)37(44-6)27(29)14-16-40(31,2)3/h7-12,19-22,31H,13-18H2,1-6H3/q+1/p+1/t31-/m0/s1 > AHRCPZKEUMXXKB-HKBQPEDESA-O > C38H42N2O6 > 622.761 > 622.303189921 > 4 > 88 > 68.4622453650625 > 1 > 1 > 2 > 0 > (11S)-4-hydroxy-19,30,36-trimethoxy-10,10,25-trimethyl-2,17-dioxa-10,25-diazaheptacyclo[22.6.2.2^{13,16}.1^{3,7}.1^{18,22}.0^{6,11}.0^{28,32}]hexatriaconta-1(31),3,5,7(36),13,15,18,20,22(33),24,28(32),29,34-tridecaene-10,25-diium > 2.60 > -1.7324075216101558 > -7.22 > 0 > 7 > 2 > 13.3009873698259 > 8.409037121788293 > -3.42301426003312 > 69.39 > 202.1555 > 3 > 0 > 4.22e-05 g/l > (11S)-4-hydroxy-19,30,36-trimethoxy-10,10,25-trimethyl-2,17-dioxa-10,25-diazaheptacyclo[22.6.2.2^{13,16}.1^{3,7}.1^{18,22}.0^{6,11}.0^{28,32}]hexatriaconta-1(31),3,5,7(36),13,15,18,20,22(33),24,28(32),29,34-tridecaene-10,25-diium > 0 > NP0078135 > (+)-Coccuorbiculatine A $$$$