Mrv0541 02241209242D 63 69 0 0 0 0 999 V2000 2.3401 2.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1252 1.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6091 2.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1252 3.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3795 4.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7965 4.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1967 2.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1967 1.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 2.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2319 1.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2319 0.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1967 0.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9115 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6265 0.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6265 1.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9115 2.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9115 3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6265 3.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3401 3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4266 3.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1865 4.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7696 3.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 3.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7802 4.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1971 5.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9368 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1499 3.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9474 3.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6604 0.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -0.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 -0.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 -1.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -1.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6604 -3.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 -2.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6604 1.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 2.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 3.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -5.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -4.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6604 -3.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 -4.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8039 2.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 1.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 0.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8039 0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8039 -0.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5189 -0.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2325 -0.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9474 -0.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2325 -1.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5189 -1.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8039 -1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8039 -2.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 -3.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 -3.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8039 -4.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8039 -5.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 20 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 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 17 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 11 30 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 2 0 0 0 0 16 17 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 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 40 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 52 1 0 0 0 0 35 36 1 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 60 1 0 0 0 0 38 39 1 0 0 0 0 38 46 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 49 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 61 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 49 50 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 57 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > CHEM028020 > chemdb > CCC(\C=C\C(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)C > InChI=1S/C47H78O16/c1-7-24(22(2)3)9-8-23(4)28-12-13-29-27-11-10-25-18-26(14-16-46(25,5)30(27)15-17-47(28,29)6)58-44-41(38(55)35(52)32(20-49)60-44)63-45-42(39(56)36(53)33(21-50)61-45)62-43-40(57)37(54)34(51)31(19-48)59-43/h8-9,11,22-26,28-45,48-57H,7,10,12-21H2,1-6H3/b9-8+ > GKJMLOMZBLJNRX-CMDGGOBGSA-N > C47H78O16 > 899.1126 > 898.528986448 > 16 > 97.74384313037106 > 0 > 10 > 0 > 0 > 2-[(2-{[2-({14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 2.51 > 2.170048198333337 > -3.92 > 1 > 7 > 0 > 12.498606432181646 > 11.997975114684627 > -2.9810838020447328 > 257.67999999999995 > 228.12260000000006 > 14 > 0 > 1.07e-01 g/l > 2-[(2-{[2-({14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Chondrillasterol 3-[glucosyl-(1->2)-glucosyl-(1->2)-glucoside] $$$$