Mrv0541 05061310492D 67 74 0 0 0 0 999 V2000 -0.1836 2.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8748 1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9017 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0555 -1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4009 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8024 1.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1526 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0099 0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2749 1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0387 1.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3741 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3300 0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5662 0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2354 1.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9425 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1174 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2859 1.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7605 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6227 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 -2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 2.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6229 1.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2293 1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3977 1.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0261 -0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1505 0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4418 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4787 -0.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7773 -2.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9930 1.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1615 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5411 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1049 0.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1931 -2.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4529 -0.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2733 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6214 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8591 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0812 -1.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6891 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8576 -0.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7899 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9143 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4985 0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7347 0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7694 2.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9379 2.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5376 2.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 -0.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1253 -3.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6450 1.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8135 1.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6529 -3.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8686 0.0894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9568 -2.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5647 -0.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9842 -0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3174 -1.5027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5773 1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7458 0.6376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2056 -0.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0371 -0.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7332 -1.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 2.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 9 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 21 1 1 0 0 0 0 21 2 1 0 0 0 0 21 15 2 0 0 0 0 22 3 1 0 0 0 0 23 15 1 0 0 0 0 23 16 1 0 0 0 0 24 9 1 0 0 0 0 25 18 1 0 0 0 0 26 19 1 0 0 0 0 27 11 1 0 0 0 0 28 10 1 0 0 0 0 29 12 1 0 0 0 0 30 17 1 0 0 0 0 31 22 1 0 0 0 0 32 25 1 0 0 0 0 33 26 1 0 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 33 1 0 0 0 0 39 38 1 0 0 0 0 40 24 1 0 0 0 0 41 36 1 0 0 0 0 42 37 1 0 0 0 0 43 39 1 0 0 0 0 44 4 1 0 0 0 0 44 5 1 0 0 0 0 44 27 1 0 0 0 0 44 29 1 0 0 0 0 45 6 1 0 0 0 0 45 13 1 0 0 0 0 45 27 1 0 0 0 0 45 28 1 0 0 0 0 46 7 1 0 0 0 0 46 14 1 0 0 0 0 46 28 1 0 0 0 0 47 8 1 0 0 0 0 47 16 1 0 0 0 0 47 40 1 0 0 0 0 48 17 1 0 0 0 0 48 20 1 0 0 0 0 48 24 1 0 0 0 0 48 46 1 0 0 0 0 49 18 1 0 0 0 0 50 19 1 0 0 0 0 51 23 1 0 0 0 0 52 30 2 0 0 0 0 53 31 1 0 0 0 0 54 32 1 0 0 0 0 55 33 1 0 0 0 0 56 34 1 0 0 0 0 57 35 1 0 0 0 0 58 36 1 0 0 0 0 59 37 1 0 0 0 0 60 20 1 0 0 0 0 60 30 1 0 0 0 0 61 22 1 0 0 0 0 61 41 1 0 0 0 0 62 25 1 0 0 0 0 62 42 1 0 0 0 0 63 26 1 0 0 0 0 63 43 1 0 0 0 0 64 29 1 0 0 0 0 64 43 1 0 0 0 0 65 38 1 0 0 0 0 65 42 1 0 0 0 0 66 39 1 0 0 0 0 66 41 1 0 0 0 0 67 40 1 0 0 0 0 67 47 1 0 0 0 0 M END > CHEM032413 > chemdb > CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC(C4OC4(C)CC(O)C=C(C)C)C54COC(=O)C4)C3(C)C)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C48H78O19/c1-21(2)15-23(51)16-47(8)40(67-47)24-9-10-28-45(6)13-12-29(44(4,5)27(45)11-14-46(28,7)48(24)17-30(52)60-20-48)64-43-39(66-41-36(58)34(56)31(53)22(3)61-41)38(33(55)26(19-50)63-43)65-42-37(59)35(57)32(54)25(18-49)62-42/h15,22-29,31-43,49-51,53-59H,9-14,16-20H2,1-8H3 > WGBVZRNBBJVXAT-UHFFFAOYSA-N > C48H78O19 > 959.1215 > 958.513730314 > 18 > 101.9907660843024 > 0 > 10 > 0 > 0 > 2'-[3-(2-hydroxy-4-methylpent-3-en-1-yl)-3-methyloxiran-2-yl]-7'-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4'b,8',8',10'a-tetramethyl-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthrene]-5-one > 0.61 > 0.04303419833333383 > -3.27 > 1 > 8 > 0 > 12.375797225504826 > 11.884673820065062 > -2.981090993614149 > 296.50999999999993 > 232.46540000000005 > 12 > 0 > 5.18e-01 g/l > 2'-[3-(2-hydroxy-4-methylpent-3-en-1-yl)-3-methyloxiran-2-yl]-7'-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4'b,8',8',10'a-tetramethyl-decahydrospiro[oxolane-3,1'-phenanthrene]-5-one > 0 > Hoduloside II $$$$