Mrv0541 04121521062D 63 68 0 0 0 0 999 V2000 4.7449 3.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8409 2.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0888 1.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 3.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 2.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1299 1.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5846 2.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3099 2.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2252 1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1046 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 0.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1231 3.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0936 4.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8581 5.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 6.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0797 5.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4517 4.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3256 5.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4749 5.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1531 6.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9304 6.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2907 3.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7168 3.9069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5804 4.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 5.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 3.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1618 4.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6551 4.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0086 3.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3526 2.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2832 1.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0263 1.6887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6321 0.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4543 -0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4693 -0.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7769 -1.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6695 -0.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0439 0.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2547 -0.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6476 0.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2459 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 1.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0898 0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7311 1.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7989 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7999 0.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1641 -0.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0845 -1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5589 -2.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4396 -2.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6697 1.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9085 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6988 1.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 -0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8816 2.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1738 2.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 16 21 1 0 0 0 0 12 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 31 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 6 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 51 56 1 0 0 0 0 6 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 44 61 1 0 0 0 0 22 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 M END > NP0139707 > NP-MRD > CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C11OC3(C)COC(=O)C3=CC=CN=C3CCC(C)(O)C(=O)OC(C(OC(=O)C3=CC=CC=C3)C2OC(C)=O)C1(C)O > InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3 > XQDBHSNYTFRCNJ-UHFFFAOYSA-N > C43H49NO19 > 883.853 > 883.289878362 > 12 > 112 > 86.29752736593554 > 0 > 2 > 0 > 0 > 20,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-19-yl benzoate > 2.09 > 0.7314916069999978 > -3.52 > 1 > 6 > 0 > 12.962389952030911 > 12.344904248638347 > 2.714867408717063 > 272.97999999999996 > 205.12460000000004 > 14 > 0 > 2.70e-01 g/l > 20,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-19-yl benzoate > 0 > NP0139707 > Wilfordine $$$$