Mrv0541 02241212062D 62 70 0 0 0 0 999 V2000 0.8213 1.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7911 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6343 0.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6646 -0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0364 -0.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7635 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4632 -0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2206 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9492 0.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7232 0.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2304 1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7699 2.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2785 2.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0503 3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5196 1.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5499 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2785 2.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9767 1.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0908 2.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0236 1.5918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0524 2.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7947 2.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4793 2.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4202 3.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1034 3.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3932 -0.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0914 -0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 0.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7624 1.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7334 2.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 2.4592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9053 -2.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1781 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 -2.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5087 -3.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0515 -3.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7512 -2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -1.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 -1.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7059 -1.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4207 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1493 -1.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8503 -1.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5198 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4909 0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1905 1.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6779 3.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9947 3.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2470 -0.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9467 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9177 0.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6174 1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5887 2.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7041 -1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6752 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3748 0.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 0.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0458 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1034 -0.3010 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 2 7 1 0 0 0 0 2 17 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 5 28 1 0 0 0 0 6 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 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 23 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 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 44 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 43 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 44 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 47 52 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 62 1 0 0 0 0 60 61 1 0 0 0 0 M END > CHEM034105 > chemdb > CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1 > InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3 > GVSGITAPQDRRJB-UHFFFAOYSA-N > C45H74O17 > 887.0589 > 886.492600942 > 17 > 97.42950706697803 > 0 > 9 > 0 > 0 > 2-{[3-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol > 0.61 > 1.067287965000003 > -3.45 > 1 > 9 > 0 > 12.375797780888387 > 11.884673775518081 > -2.981090991097684 > 255.9099999999999 > 215.11210000000005 > 8 > 0 > 3.11e-01 g/l > 2-{[3-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol > 0 > Melongoside G > 94805-86-4 $$$$