Mrv0541 05061312352D 62 69 0 0 0 0 999 V2000 -2.1971 -3.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 -4.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4988 -3.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 -4.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1406 -2.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 -3.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1388 -3.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6788 -4.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3188 -3.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8589 -4.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9814 -2.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8528 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0853 -2.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -2.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0526 -0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5926 -1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9466 -2.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 -3.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4701 -2.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5215 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0102 -3.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7015 -2.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1614 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6728 -1.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3839 -0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2209 -3.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3732 -2.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1685 -0.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7727 -1.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 -3.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8952 0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9745 -0.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2840 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2250 -1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0752 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6695 -2.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1327 -1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7439 -0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8635 -1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6214 -2.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -3.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 -3.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4734 0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 -0.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2039 -0.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2265 1.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5299 -0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6153 0.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0310 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9753 -0.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 1.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -2.8749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3127 -1.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -2.5228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2326 -1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9240 -0.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -2.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 -2.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4414 -2.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 5 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 18 1 1 0 0 0 0 18 5 1 0 0 0 0 18 15 1 0 0 0 0 19 2 1 0 0 0 0 20 7 1 0 0 0 0 20 11 1 0 0 0 0 21 12 1 0 0 0 0 22 8 1 0 0 0 0 22 21 1 0 0 0 0 23 13 1 0 0 0 0 23 21 1 0 0 0 0 24 11 1 0 0 0 0 25 12 1 0 0 0 0 25 24 1 0 0 0 0 26 16 1 0 0 0 0 27 6 1 0 0 0 0 27 19 2 0 0 0 0 28 13 1 0 0 0 0 29 14 1 0 0 0 0 30 17 1 0 0 0 0 31 19 1 0 0 0 0 31 28 1 0 0 0 0 32 26 1 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 32 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 3 1 0 0 0 0 43 9 1 0 0 0 0 43 22 1 0 0 0 0 43 24 1 0 0 0 0 44 4 1 0 0 0 0 44 10 1 0 0 0 0 44 23 1 0 0 0 0 44 31 1 0 0 0 0 45 14 1 0 0 0 0 46 25 2 0 0 0 0 47 26 1 0 0 0 0 48 32 1 0 0 0 0 49 33 1 0 0 0 0 50 34 1 0 0 0 0 51 35 1 0 0 0 0 52 36 1 0 0 0 0 53 37 1 0 0 0 0 54 38 1 0 0 0 0 55 39 1 0 0 0 0 56 15 1 0 0 0 0 56 41 1 0 0 0 0 57 16 1 0 0 0 0 57 40 1 0 0 0 0 58 17 1 0 0 0 0 58 40 1 0 0 0 0 59 20 1 0 0 0 0 59 42 1 0 0 0 0 60 27 1 0 0 0 0 60 28 1 0 0 0 0 61 29 1 0 0 0 0 61 41 1 0 0 0 0 62 30 1 0 0 0 0 62 42 1 0 0 0 0 M END > CHEM034459 > chemdb > CC(CCC1=C(C)C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)O1)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C44H70O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-6-27-19(2)31-28(60-27)13-23-21-12-25(46)24-11-20(7-9-43(24,3)22(21)8-10-44(23,31)4)59-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)26(47)16-57-40/h18,20-24,26,28-42,45,47-55H,5-17H2,1-4H3 > ZKCRBHUUXPULDX-UHFFFAOYSA-N > C44H70O18 > 887.0158 > 886.456215436 > 18 > 96.00318154255645 > 0 > 10 > 0 > 0 > 7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-16-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-19-one > -0.93 > -1.3553730923333303 > -3.26 > 1 > 8 > 0 > 12.20282498512516 > 11.757818226514678 > -3.648377298756638 > 283.98 > 214.54160000000007 > 12 > 0 > 4.91e-01 g/l > 7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-16-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-19-one > 0 > Chinenoside III > 172519-52-7 $$$$