Mrv0541 05061308292D 73 81 0 0 0 0 999 V2000 8.5617 1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5776 4.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0519 -1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4029 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8658 1.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5052 0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5118 -0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9497 0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6857 1.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 1.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3832 -0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2793 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 1.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2825 -2.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 3.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8666 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3111 0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5275 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3976 4.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7681 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8431 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3544 0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6631 0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2258 1.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1437 0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 0.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 -0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5331 -2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 2.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8154 0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8863 5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 -1.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3391 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7063 5.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9194 -2.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5896 -1.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0341 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0376 4.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4081 -1.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7228 1.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 2.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2281 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5489 3.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0768 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4142 0.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 0.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5345 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8380 -3.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4203 3.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 1.7419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 5.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6107 -2.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8945 -2.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1949 5.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2507 -2.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3956 -0.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2846 0.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8576 4.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 -1.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5428 1.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6726 -0.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7289 3.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2568 -0.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8124 -0.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9255 0.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9776 -1.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0829 1.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 2.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5655 0.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 12 11 1 0 0 0 0 19 1 1 0 0 0 0 19 7 1 0 0 0 0 19 18 1 0 0 0 0 20 2 1 0 0 0 0 21 3 1 0 0 0 0 22 4 1 0 0 0 0 23 8 1 0 0 0 0 23 13 1 0 0 0 0 24 9 1 0 0 0 0 25 11 1 0 0 0 0 25 24 1 0 0 0 0 26 14 1 0 0 0 0 26 24 1 0 0 0 0 27 15 1 0 0 0 0 28 10 1 0 0 0 0 28 20 2 0 0 0 0 29 13 1 0 0 0 0 29 27 1 0 0 0 0 30 14 1 0 0 0 0 31 16 1 0 0 0 0 32 17 1 0 0 0 0 33 20 1 0 0 0 0 33 30 1 0 0 0 0 34 21 1 0 0 0 0 35 22 1 0 0 0 0 36 31 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 39 1 0 0 0 0 41 37 1 0 0 0 0 42 38 1 0 0 0 0 44 32 1 0 0 0 0 44 43 1 0 0 0 0 45 43 1 0 0 0 0 46 40 1 0 0 0 0 47 41 1 0 0 0 0 48 42 1 0 0 0 0 49 45 1 0 0 0 0 50 5 1 0 0 0 0 50 12 1 0 0 0 0 50 26 1 0 0 0 0 50 33 1 0 0 0 0 51 6 1 0 0 0 0 51 15 1 0 0 0 0 51 23 1 0 0 0 0 51 25 1 0 0 0 0 52 16 1 0 0 0 0 53 17 1 0 0 0 0 54 27 1 0 0 0 0 55 34 1 0 0 0 0 56 35 1 0 0 0 0 57 36 1 0 0 0 0 58 37 1 0 0 0 0 59 38 1 0 0 0 0 60 39 1 0 0 0 0 61 40 1 0 0 0 0 62 41 1 0 0 0 0 63 42 1 0 0 0 0 64 43 1 0 0 0 0 65 18 1 0 0 0 0 65 46 1 0 0 0 0 66 21 1 0 0 0 0 66 47 1 0 0 0 0 67 22 1 0 0 0 0 67 48 1 0 0 0 0 68 28 1 0 0 0 0 68 30 1 0 0 0 0 69 29 1 0 0 0 0 69 49 1 0 0 0 0 70 31 1 0 0 0 0 70 46 1 0 0 0 0 71 32 1 0 0 0 0 71 49 1 0 0 0 0 72 44 1 0 0 0 0 72 47 1 0 0 0 0 73 45 1 0 0 0 0 73 48 1 0 0 0 0 M END > CHEM029382 > chemdb > CC(CCC1=C(C)C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)O1)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C51H84O22/c1-19(18-65-46-40(61)39(60)36(57)31(16-52)70-46)7-10-28-20(2)33-30(68-28)14-26-24-9-8-23-13-29(27(54)15-51(23,6)25(24)11-12-50(26,33)5)69-49-45(73-48-42(63)38(59)35(56)22(4)67-48)43(64)44(32(17-53)71-49)72-47-41(62)37(58)34(55)21(3)66-47/h19,21-27,29-49,52-64H,7-18H2,1-6H3 > ZGGKEHAJPIMSQR-UHFFFAOYSA-N > C51H84O22 > 1049.1995 > 1048.545424372 > 22 > 113.11135161242595 > 0 > 13 > 0 > 0 > 2-[(4-hydroxy-6-{[15-hydroxy-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]icos-6-en-16-yl]oxy}-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol > -0.69 > -1.814376810333334 > -2.98 > 1 > 9 > 0 > 12.18725507104163 > 11.751489640717669 > -3.648377298756638 > 346.0600000000001 > 250.52420000000004 > 14 > 0 > 1.09e+00 g/l > 2-[(4-hydroxy-6-{[15-hydroxy-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]icos-6-en-16-yl]oxy}-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol > 0 > Tuberoside B (Allium tuberosum) > 259810-67-8 $$$$