Mrv1652309102216382D 52 57 0 0 1 0 999 V2000 13.5429 -4.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7507 -4.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5538 -3.2343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3807 -2.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0061 -2.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2737 -1.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8858 -0.6831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9207 0.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4700 -1.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6867 -1.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2129 -1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5377 -2.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4184 -1.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8969 -2.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1510 -1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6085 -0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4841 -0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2649 -0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3969 0.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1175 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4950 1.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2579 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9337 -0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1423 -0.6154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5953 -0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 -0.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8192 0.7997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5272 1.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9845 0.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3068 0.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6439 0.9700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0161 -0.3214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3962 -0.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1776 -1.1304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6804 -1.8557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0910 -2.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -2.3611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9780 -3.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1744 -2.6842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8741 -3.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9836 -2.9885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7395 -3.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8318 -3.1970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6546 -4.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2638 -4.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0502 -4.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0866 -5.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6936 -3.3644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6764 -4.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6562 0.9678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3423 -1.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9609 -1.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 4 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 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 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 10 17 1 0 0 0 0 17 18 1 0 0 0 0 7 18 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 37 38 1 6 0 0 0 37 39 1 0 0 0 0 39 40 1 6 0 0 0 39 41 1 0 0 0 0 41 42 1 6 0 0 0 41 43 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 43 48 1 0 0 0 0 3 48 1 0 0 0 0 48 49 1 1 0 0 0 27 50 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 15 51 1 0 0 0 0 51 52 2 0 0 0 0 M END > NP0301576 > NP-MRD > CO[C@H]1C=CO[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C5=C(O[C@@](C)(CC(=O)[C@@H]6C[C@@H]6[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=N5)C(=O)C4=C3C2=O > InChI=1S/C37H43NO14/c1-13-21(48-8)9-10-49-37(7)34(46)24-22-23(28(43)16(4)32(24)52-37)29(44)25-33(30(22)45)51-36(6,35(47)38-25)12-20(40)18-11-19(18)27(42)14(2)26(41)15(3)31(13)50-17(5)39/h9-10,13-15,18-19,21,26-27,31,41-43H,11-12H2,1-8H3,(H,38,47)/t13-,14+,15-,18-,19+,21+,26-,27-,31?,36+,37+/m1/s1 > JZQRRNJKVINLDK-WBPDJLNASA-N > C37H43NO14 > 725.744 > 725.268355069 > 14 > 95 > 72.76417321981187 > 0 > 4 > 0 > 0 > (10S,14S,15R,16S,17R,18R,19R,20S,21S,23R,26S)-5,18,20,27-tetrahydroxy-14-methoxy-6,10,15,17,19,26-hexamethyl-2,9,24,31-tetraoxo-11,30,32-trioxa-28-azahexacyclo[24.3.1.1^{4,29}.1^{7,10}.0^{3,8}.0^{21,23}]dotriaconta-1(29),3,5,7,12,27-hexaen-16-yl acetate > 2.462347418333331 > 0 > 6 > -1 > 6.929650098542984 > 2.3989339347424417 > -2.1825450735153757 > 224.77999999999994 > 182.99330000000006 > 3 > 0 > (10S,14S,15R,16S,17R,18R,19R,20S,21S,23R,26S)-5,18,20,27-tetrahydroxy-14-methoxy-6,10,15,17,19,26-hexamethyl-2,9,24,31-tetraoxo-11,30,32-trioxa-28-azahexacyclo[24.3.1.1^{4,29}.1^{7,10}.0^{3,8}.0^{21,23}]dotriaconta-1(29),3,5,7,12,27-hexaen-16-yl acetate > 0 > NP0301576 > (10s,14s,15r,16s,17r,18r,19r,20s,21s,23r,26s)-5,18,20,27-tetrahydroxy-14-methoxy-6,10,15,17,19,26-hexamethyl-2,9,24,31-tetraoxo-11,30,32-trioxa-28-azahexacyclo[24.3.1.1⁴,²⁹.1⁷,¹⁰.0³,⁸.0²¹,²³]dotriaconta-1(29),3(8),4,6,12,27-hexaen-16-yl acetate $$$$