Mrv1652309122216482D 52 58 0 0 0 0 999 V2000 3.1432 -3.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4265 -3.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7143 -3.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -4.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4218 -2.5551 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 10.9199 -2.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2512 -1.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7625 -0.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0938 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6052 0.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9365 1.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2451 0.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4025 -0.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2225 -0.5228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7111 -1.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3798 -1.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8685 -2.6077 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 14.6885 -2.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1772 -3.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0198 -1.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8398 -1.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5311 -1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8624 -0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0712 -1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5599 -2.0339 0.0000 O 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 6.0000 -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 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 2 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 7 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 2 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 19 20 1 0 0 0 0 20 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 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 29 37 1 0 0 0 0 37 38 1 0 0 0 0 27 39 1 0 0 0 0 20 39 1 0 0 0 0 39 40 1 0 0 0 0 18 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 16 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 13 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 12 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 10 50 1 0 0 0 0 50 51 1 0 0 0 0 7 51 1 0 0 0 0 51 52 1 0 0 0 0 M END > NP0329930 > NP-MRD > CC(CO)CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1O > InChI=1S/C39H64O13/c1-18(16-40)8-13-39(47)19(2)28-26(52-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-33(46)34(30(43)27(17-41)50-36)51-35-32(45)31(44)29(42)20(3)48-35/h6,18-20,22-36,40-47H,7-17H2,1-5H3 > HLNIXNXGLLAMGD-UHFFFAOYSA-N > C39H64O13 > 740.928 > 740.434692121 > 13 > 116 > 82.96973634718282 > 0 > 8 > 0 > 0 > 2-[(3,5-dihydroxy-2-{[6-hydroxy-6-(4-hydroxy-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxan-4-yl)oxy]-6-methyloxane-3,4,5-triol > 1.2708405569999985 > 1 > 7 > 0 > 12.107230799750534 > 11.590699479475905 > -1.741076714305534 > 207.98999999999998 > 187.05890000000008 > 9 > 0 > 2-[(3,5-dihydroxy-2-{[6-hydroxy-6-(4-hydroxy-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxan-4-yl)oxy]-6-methyloxane-3,4,5-triol > 0 > NP0329930 > 2-[(3,5-dihydroxy-2-{[6-hydroxy-6-(4-hydroxy-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxan-4-yl)oxy]-6-methyloxane-3,4,5-triol $$$$