Mrv1652304282211332D 26 27 0 0 1 0 999 V2000 -3.5724 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 -2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 -4.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8743 -5.6645 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 4 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 13 12 1 1 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 13 18 1 0 0 0 0 16 19 1 1 0 0 0 15 20 1 6 0 0 0 14 21 1 6 0 0 0 10 22 1 1 0 0 0 1 23 1 6 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M END > NP0065331 > NP-MRD > C[C@@H](CCCC1=CC[C@H](CC1)C(C)(C)O)CO[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O > InChI=1S/C20H36O6/c1-13(11-25-19-18(23)17(22)16(21)12-26-19)5-4-6-14-7-9-15(10-8-14)20(2,3)24/h7,13,15-19,21-24H,4-6,8-12H2,1-3H3/t13-,15+,16-,17+,18+,19+/m0/s1 > WWRXLDHNBDKQEC-RJBYQVBTSA-N > C20H36O6 > 372.502 > 372.251188879 > 6 > 62 > 42.35404679052745 > 1 > 4 > 0 > 1 > (2R,3R,4R,5S)-2-{[(2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohex-1-en-1-yl]-2-methylpentyl]oxy}oxane-3,4,5-triol > 1.92 > 1.7403656736666662 > -2.87 > 0 > 2 > 0 > 13.403366262283182 > 12.246724906816548 > -0.8729560352420783 > 99.38000000000001 > 99.717 > 8 > 1 > 5.00e-01 g/l > (2R,3R,4R,5S)-2-{[(2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohex-1-en-1-yl]-2-methylpentyl]oxy}oxane-3,4,5-triol > 0 > NP0065331 > 14-Hydroxy-12,13-dihydrosesquiterpineol-14-O-xylopyranoside $$$$