Mrv1652309062219162D 47 52 0 0 1 0 999 V2000 1.2213 -5.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -4.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8705 -3.8835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2953 -3.2922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5045 -3.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5198 -2.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3195 -2.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5440 -1.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9688 -0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 -0.1167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9162 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5806 -0.1008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4049 -0.1359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8610 -0.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 1.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3593 0.6940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4907 0.4714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7204 1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5214 1.4611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9563 -0.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2812 -0.1561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1828 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3311 1.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1374 1.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7351 2.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6539 2.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0537 0.8377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4899 1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2826 1.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 2.2658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8948 -2.8871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6946 -2.6846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 -3.6810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4868 -3.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 -4.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6642 -4.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2598 -4.8786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3776 -5.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 -6.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8472 -7.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1989 -7.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -8.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 -8.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7863 -9.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 -8.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -4.4940 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 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 6 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 2 0 0 0 0 18 21 1 0 0 0 0 22 21 1 6 0 0 0 10 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 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 18 28 1 0 0 0 0 10 28 1 0 0 0 0 28 29 1 1 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 7 32 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 3 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 6 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 38 47 1 0 0 0 0 34 47 1 0 0 0 0 M END > NP0234927 > NP-MRD > CO[C@@H]1[C@@H](C)O[C@@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C[C@@H]2C=C(C(C)C)[C@@]34C(O)=O)C=O)[C@@H](O)[C@]11O[C@@H](CCCCCC(O)=O)C(=O)O1 > InChI=1S/C35H50O12/c1-18(2)24-13-21-14-32(16-36)23-12-11-19(3)22(23)15-33(21,34(24,32)31(41)42)17-44-30-27(39)35(28(43-5)20(4)45-30)46-25(29(40)47-35)9-7-6-8-10-26(37)38/h13,16,18-23,25,27-28,30,39H,6-12,14-15,17H2,1-5H3,(H,37,38)(H,41,42)/t19-,20-,21+,22-,23-,25+,27-,28-,30-,32+,33+,34+,35-/m1/s1 > QKXOLTOXYCQWLX-PYSOVHISSA-N > C35H50O12 > 662.773 > 662.33022705 > 11 > 97 > 70.75661558498092 > 0 > 3 > 0 > 0 > (1R,2S,4R,5R,8R,9S,11R)-2-({[(2S,5R,6R,7R,9R,10R)-2-(5-carboxypentyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-7-yl]oxy}methyl)-9-formyl-5-methyl-13-(propan-2-yl)tetracyclo[7.4.0.0^{2,11}.0^{4,8}]tridec-12-ene-1-carboxylic acid > 4.251520398666664 > 1 > 6 > -2 > 4.277426474378365 > 3.670824641206807 > -3.7253376176308053 > 175.11999999999998 > 164.41680000000005 > 13 > 0 > (1R,2S,4R,5R,8R,9S,11R)-2-({[(2S,5R,6R,7R,9R,10R)-2-(5-carboxypentyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-7-yl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.0^{2,11}.0^{4,8}]tridec-12-ene-1-carboxylic acid > 0 > NP0234927 > (1r,2s,4r,5r,8r,9s,11r)-2-({[(2s,5r,6r,7r,9r,10r)-2-(5-carboxypentyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-7-yl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.0²,¹¹.0⁴,⁸]tridec-12-ene-1-carboxylic acid $$$$