Mrv2104 06072104183D 73 81 0 0 0 0 999 V2000 10.6678 1.6493 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6612 3.4425 -1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4103 -3.2722 0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2191 1.7049 -4.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1717 -0.9574 2.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 0.7842 1.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7299 -1.5430 -0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 -1.4699 -0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7896 0.2175 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 1.3699 1.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.7041 1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 0.8809 2.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2909 2.2937 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7704 1.1989 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -1.0767 0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6763 -0.8128 -1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5573 -3.2413 2.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8496 2.5590 1.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0491 -0.7526 -0.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0605 0.2547 -0.3142 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4906 2.1834 -0.8952 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.1714 -1.8430 1.2090 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7342 0.7808 -3.5245 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3021 -0.9376 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3666 0.3121 0.6911 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4644 -0.5390 0.0437 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5747 0.5804 0.5764 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5170 0.0797 -0.7930 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6015 0.1884 -1.8212 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5972 -2.4114 1.1146 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5962 1.4560 0.8427 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1965 1.5708 -1.2806 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.5234 -1.1748 1.3542 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2197 0.5563 -3.7173 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7632 -0.9385 1.4271 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.3531 0.3101 1.6012 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.7007 -0.3367 -2.5898 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1058 -0.2662 0.1128 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3413 -0.8762 -1.0341 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.2715 0.5737 2.6271 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8200 -1.5772 -2.5849 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2182 -1.0276 1.0215 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0211 0.1783 1.4679 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4793 -0.6675 -0.2393 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1533 -1.6821 -0.5666 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.0634 -0.2953 2.4109 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4031 -1.1242 -2.3256 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5849 0.5130 0.0871 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4826 -0.0383 1.4643 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2748 1.2219 -0.1329 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5197 1.2009 -1.4202 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3948 -4.5604 2.0297 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5725 3.7713 1.2456 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2121 -1.2903 0.1371 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8118 1.8293 -3.6322 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7970 -0.6976 2.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5423 0.8425 2.0937 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0399 -0.6187 -2.7168 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7968 1.0845 0.2425 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1999 -1.7410 -1.7072 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7496 0.2920 3.9235 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9694 -2.1662 -3.8395 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3591 -1.4945 2.0155 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7200 1.4357 -2.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2232 -0.7591 -0.0932 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4742 -1.6666 2.3885 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0252 -0.3963 -3.4771 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 0.2208 1.0985 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4260 -2.5721 0.4268 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2888 1.6041 0.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3894 -0.0860 1.2326 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4071 -0.3065 -1.2085 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8815 -0.0255 -1.3024 O 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 6 0 0 0 21 2 1 6 0 0 0 22 3 1 1 0 0 0 23 4 1 6 0 0 0 49 5 1 1 0 0 0 50 6 1 1 0 0 0 7 8 1 0 0 0 0 7 24 2 0 0 0 0 26 8 1 6 0 0 0 9 14 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 27 11 1 1 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 28 16 1 1 0 0 0 29 16 1 1 0 0 0 30 17 1 1 0 0 0 17 52 1 0 0 0 0 31 18 1 1 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 65 1 0 0 0 0 21 32 1 0 0 0 0 21 51 1 0 0 0 0 22 33 1 0 0 0 0 22 66 1 0 0 0 0 23 34 1 0 0 0 0 23 67 1 0 0 0 0 24 49 1 0 0 0 0 25 68 1 1 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 32 29 1 1 0 0 0 29 73 1 0 0 0 0 30 35 1 0 0 0 0 30 69 1 0 0 0 0 31 43 1 0 0 0 0 31 70 1 0 0 0 0 32 50 1 0 0 0 0 33 36 1 0 0 0 0 33 54 1 6 0 0 0 34 37 1 0 0 0 0 34 55 1 1 0 0 0 35 38 1 0 0 0 0 35 56 1 1 0 0 0 36 40 1 0 0 0 0 36 57 1 1 0 0 0 37 41 1 0 0 0 0 37 58 1 6 0 0 0 38 39 1 0 0 0 0 38 59 1 1 0 0 0 39 45 1 0 0 0 0 39 60 1 1 0 0 0 40 46 1 0 0 0 0 40 61 1 1 0 0 0 41 47 1 0 0 0 0 41 62 1 6 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 63 1 1 0 0 0 43 71 1 6 0 0 0 44 48 1 0 0 0 0 44 72 1 6 0 0 0 45 65 1 1 0 0 0 45 69 1 0 0 0 0 46 66 1 0 0 0 0 46 71 1 6 0 0 0 47 67 1 0 0 0 0 47 72 1 1 0 0 0 48 68 1 1 0 0 0 48 70 1 0 0 0 0 51 64 1 6 0 0 0 51 73 1 0 0 0 0 M END > PHUB000019 > phytohub > C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43+,44+,45+,46-,47-,48+,49-,50-,51+/s2 > LVTJOONKWUXEFR-AHSFMQEVNA-N > C51H84O22 > 1049.211 > 1048.545424345 > 22 > 157 > -6.268959893285222e-05 > 111.45357802935351 > 0 > 13 > 0 > 0 > (2S,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-4-hydroxy-6-{[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > -0.22 > -1.223920767666666 > -3.07 > 1 > 0 > 9 > 0 > 11.957788074375062 > 11.505555253225195 > -3.6765054853651766 > 346.0600000000001 > 250.3418000000001 > 14 > 0 > 8.96e-01 g/l > (2S,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-4-hydroxy-6-{[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 0 $$$$