Mrv1533004171500372D 65 72 0 0 0 0 999 V2000 1.7004 -1.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -0.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1293 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1339 -2.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8507 -2.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3696 -3.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -1.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -1.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7151 -1.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3313 -2.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1513 -1.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4826 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3026 -1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7913 -1.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6112 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0999 -2.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7686 -3.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9486 -3.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4600 -2.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6400 -2.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3087 -3.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4887 -3.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1574 -4.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5915 -3.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1791 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4669 -3.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3853 -3.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9199 -2.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4086 -2.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2286 -2.7894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7172 -3.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5372 -3.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0259 -4.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3859 -4.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8746 -4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5659 -4.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2346 -5.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0773 -3.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 -3.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9260 -4.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4147 -5.1469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0834 -5.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5720 -6.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2407 -7.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2634 -5.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9321 -6.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7747 -5.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9547 -5.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1060 -4.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6173 -3.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4079 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6911 0.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6864 1.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 1.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 2.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2482 2.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2436 3.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6771 2.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 3.6282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3939 2.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 2.8113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3986 1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1153 1.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 11 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 10 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 0 0 0 0 5 28 1 0 0 0 0 28 29 1 0 0 0 0 16 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 31 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 1 0 0 0 0 45 46 1 0 0 0 0 44 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 42 51 1 0 0 0 0 51 52 1 0 0 0 0 2 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 57 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 55 64 1 0 0 0 0 64 65 1 0 0 0 0 M END > NP0303582 > NP-MRD > CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CC(O)C3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C45H76O20/c1-18(17-59-40-37(56)34(53)31(50)26(14-46)61-40)7-10-45(58)19(2)30-25(65-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)60-42-39(36(55)33(52)28(16-48)63-42)64-41-38(57)35(54)32(51)27(15-47)62-41/h18-42,46-58H,5-17H2,1-4H3 > OECBZCPEYQGOIL-UHFFFAOYSA-N > C45H76O20 > 937.083 > 936.492994847 > 20 > 141 > 99.79626236766184 > 0 > 13 > 0 > 0 > 2-[(2-{[6,10-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > -0.96 > -2.372136640999997 > -2.99 > 1 > 8 > 0 > 12.043770295336605 > 11.557390416413549 > -3.6483775957536517 > 327.59999999999997 > 221.68140000000005 > 13 > 0 > 9.60e-01 g/l > 2-[(2-{[6,10-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0303582 > 2-[(2-{[6,10-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol $$$$