Mrv1652309022204062D 49 52 0 0 1 0 999 V2000 1.6207 -1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4315 -1.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 -0.6841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9627 -0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3233 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7498 0.8624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6937 1.7234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1961 2.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 1.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0255 2.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8643 1.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2852 2.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1099 2.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8955 3.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0498 3.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5871 2.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7626 2.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1363 3.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7211 4.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9014 4.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 4.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0354 4.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8466 5.1958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6946 5.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8221 6.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5126 4.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 4.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6702 3.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9190 2.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9536 2.0157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7753 1.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7719 1.2075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5464 0.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3873 0.4739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0617 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8258 -0.1352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3543 -0.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1261 -0.5781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4726 -1.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3361 -0.8249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4776 -1.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2522 -1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8853 -1.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3937 -2.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5109 -0.8595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4398 -1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3511 4.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1725 4.0605 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 1 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 1 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 24 23 1 4 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 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 37 38 1 1 0 0 0 37 39 1 0 0 0 0 39 40 1 1 0 0 0 39 41 1 0 0 0 0 41 42 1 6 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 41 46 1 0 0 0 0 3 46 1 0 0 0 0 46 47 1 6 0 0 0 23 48 1 0 0 0 0 15 48 1 0 0 0 0 48 49 2 0 0 0 0 M END > NP0146662 > NP-MRD > CO[C@H]1C=CO[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(=CC(=O)C4=C3C2=O)N=C(O)\C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C > InChI=1S/C36H43NO12/c1-16-11-9-10-12-25(40)37-22-15-23(39)26-27(32(22)44)31(43)20(5)34-28(26)35(45)36(7,49-34)47-14-13-24(46-8)17(2)33(48-21(6)38)19(4)30(42)18(3)29(16)41/h9-19,24,29-30,33,41-43H,1-8H3,(H,37,40)/b11-9-,12-10-,14-13?/t16-,17+,18+,19+,24-,29-,30+,33+,36-/m0/s1 > KVLDCGUGRFRGTB-NFSUDPDISA-N > C36H43NO12 > 681.735 > 681.278525829 > 12 > 92 > 69.76212913975812 > 0 > 4 > 0 > 0 > (7S,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18-hexamethyl-6,27,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,23,25-octaen-13-yl acetate > 3.10 > 3.812421063999998 > -4.88 > 0 > 4 > -1 > 7.031149832981657 > 5.241154994528032 > 0.7733621535815193 > 198.47999999999996 > 181.88170000000002 > 3 > 0 > 9.03e-03 g/l > (7S,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18-hexamethyl-6,27,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,23,25-octaen-13-yl acetate > 0 > NP0146662 > (7s,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18-hexamethyl-6,27,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate $$$$