Mrv0541 04121513202D 32 34 0 0 0 0 999 V2000 2.7791 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4935 -0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9225 -0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 -0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3514 -0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4377 0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2446 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5802 1.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4007 1.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6571 -0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 -0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0161 0.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8231 0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3751 0.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1821 0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 1.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4371 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2440 -0.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8850 -0.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -1.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0780 -0.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5260 -1.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7190 -1.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1670 -1.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 -1.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1051 -0.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 -2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0629 -2.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5109 -3.5406 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 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 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 12 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 6 28 1 0 0 0 0 11 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > NP0329943 > NP-MRD > CCCCOC1C=C(CO)C2C1C(=COC2OC1OC(CO)C(O)C(O)C1O)C(=O)OC > InChI=1S/C21H32O11/c1-3-4-5-29-12-6-10(7-22)14-15(12)11(19(27)28-2)9-30-20(14)32-21-18(26)17(25)16(24)13(8-23)31-21/h6,9,12-18,20-26H,3-5,7-8H2,1-2H3 > RYWUDXJHHMSWPB-UHFFFAOYSA-N > C21H32O11 > 460.476 > 460.19446185 > 10 > 64 > 47.62712086280068 > 1 > 5 > 0 > 0 > methyl 5-butoxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate > -0.55 > -1.4005631239999998 > -1.97 > 1 > 3 > 0 > 13.194189034318349 > 12.206498829797615 > -2.741508424503115 > 164.36999999999998 > 108.56990000000002 > 10 > 1 > 4.96e+00 g/l > methyl 5-butoxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate > 0 > NP0329943 > methyl 5-butoxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate $$$$