Mrv1652309082208372D 38 42 0 0 1 0 999 V2000 10.0390 3.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2483 2.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2211 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7520 1.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3570 0.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0868 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2364 0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4329 1.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6523 1.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9272 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9635 0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1401 1.6773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5622 1.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6009 2.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2513 3.2609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6877 3.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9276 4.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3639 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6039 6.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4074 6.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6473 7.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9711 5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7311 4.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9103 3.8534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6574 3.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3873 3.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5473 2.6122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4230 2.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8407 2.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0923 3.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5319 4.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3719 4.3002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7731 5.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7682 3.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0654 3.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6896 2.6490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8696 2.1539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0714 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 9 8 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 17 23 1 0 0 0 0 15 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 27 25 1 1 0 0 0 9 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 6 0 0 0 32 34 1 0 0 0 0 2 34 1 0 0 0 0 34 35 2 0 0 0 0 36 27 1 1 0 0 0 15 36 1 0 0 0 0 36 37 1 0 0 0 0 12 37 1 0 0 0 0 37 38 1 1 0 0 0 M END > NP0263445 > NP-MRD > C[C@H]1[C@H]2[C@@]3(CC4=CC=C(O)C=C4)O[C@]1(C)[C@@H](O)[C@@H]1C=CC[C@H](C)C=C(C)C(=O)[C@@H](O)CCC(=O)[C@@]21C(O)=N3 > InChI=1S/C30H37NO7/c1-16-6-5-7-21-26(36)28(4)18(3)25-29(38-28,15-19-8-10-20(32)11-9-19)31-27(37)30(21,25)23(34)13-12-22(33)24(35)17(2)14-16/h5,7-11,14,16,18,21-22,25-26,32-33,36H,6,12-13,15H2,1-4H3,(H,31,37)/b7-5-,17-14?/t16-,18-,21-,22-,25-,26-,28-,29+,30+/m0/s1 > RLJGWXUOESLUCX-AQDNDCQKSA-N > C30H37NO7 > 523.626 > 523.257002535 > 8 > 75 > 55.41900761254954 > 1 > 4 > 0 > 0 > (1S,2S,3R,4E,7S,11S,15R,18R,19R,20S)-2,11,16-trihydroxy-18-[(4-hydroxyphenyl)methyl]-1,7,9,20-tetramethyl-21-oxa-17-azatetracyclo[16.2.1.0^{3,15}.0^{15,19}]henicosa-4,8,16-triene-10,14-dione > 4.214879745666666 > 0 > 5 > 0 > 9.502741129095376 > 3.9532023672129775 > -0.7736499072463544 > 136.65 > 143.02960000000007 > 2 > 0 > (1S,2S,3R,4E,7S,11S,15R,18R,19R,20S)-2,11,16-trihydroxy-18-[(4-hydroxyphenyl)methyl]-1,7,9,20-tetramethyl-21-oxa-17-azatetracyclo[16.2.1.0^{3,15}.0^{15,19}]henicosa-4,8,16-triene-10,14-dione > 0 > NP0263445 > (1s,2s,3r,4e,7s,11s,15r,18r,19r,20s)-2,11,16-trihydroxy-18-[(4-hydroxyphenyl)methyl]-1,7,9,20-tetramethyl-21-oxa-17-azatetracyclo[16.2.1.0³,¹⁵.0¹⁵,¹⁹]henicosa-4,8,16-triene-10,14-dione $$$$