Mrv0541 05061312012D 65 71 0 0 0 0 999 V2000 1.7848 1.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4688 3.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8347 2.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1191 -2.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1797 -2.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3601 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7832 -0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7559 1.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6015 2.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7878 0.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0739 0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0774 -2.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9323 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8553 3.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7948 2.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6462 -0.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 -1.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2890 -0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1869 -4.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0756 -1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5914 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4998 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5029 0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7730 -0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0744 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8537 -3.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3624 -1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0751 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9335 -1.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2871 0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2137 1.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 -0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6078 -4.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2745 -3.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1871 -2.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4330 -2.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5045 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6621 3.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6485 -2.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3612 -0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7901 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5410 1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5041 -0.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4328 -3.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5980 -0.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3594 -0.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 2.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7871 0.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6952 -4.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6427 1.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0287 -4.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8539 -2.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 0.2738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4893 4.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3259 1.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7906 -2.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3456 -1.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 0.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7663 -3.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2195 -2.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2172 -0.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 10 1 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 22 1 1 0 0 0 0 23 10 1 0 0 0 0 24 18 1 0 0 0 0 25 20 1 0 0 0 0 26 19 1 0 0 0 0 27 12 1 0 0 0 0 28 11 1 0 0 0 0 29 13 1 0 0 0 0 30 23 1 0 0 0 0 30 24 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 33 1 0 0 0 0 36 35 1 0 0 0 0 37 34 1 0 0 0 0 38 32 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 2 1 0 0 0 0 42 3 1 0 0 0 0 42 14 1 0 0 0 0 43 4 1 0 0 0 0 43 5 1 0 0 0 0 43 27 1 0 0 0 0 43 29 1 0 0 0 0 44 6 1 0 0 0 0 44 16 1 0 0 0 0 44 27 1 0 0 0 0 44 28 1 0 0 0 0 45 7 1 0 0 0 0 45 17 1 0 0 0 0 45 28 1 0 0 0 0 46 8 1 0 0 0 0 46 15 1 0 0 0 0 46 30 1 0 0 0 0 47 18 1 0 0 0 0 47 21 1 0 0 0 0 47 23 1 0 0 0 0 47 45 1 0 0 0 0 48 19 1 0 0 0 0 49 24 2 0 0 0 0 50 25 1 0 0 0 0 51 31 1 0 0 0 0 52 32 1 0 0 0 0 53 33 1 0 0 0 0 54 34 1 0 0 0 0 55 35 1 0 0 0 0 56 36 1 0 0 0 0 57 37 1 0 0 0 0 58 42 1 0 0 0 0 59 46 1 0 0 0 0 60 20 1 0 0 0 0 60 41 1 0 0 0 0 61 21 1 0 0 0 0 61 39 1 0 0 0 0 62 22 1 0 0 0 0 62 40 1 0 0 0 0 63 26 1 0 0 0 0 63 39 1 0 0 0 0 64 29 1 0 0 0 0 64 41 1 0 0 0 0 65 38 1 0 0 0 0 65 40 1 0 0 0 0 M END > CHEM033812 > chemdb > CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CCC3C(C(=O)CC43COC3OC(CO)C(O)C(O)C3O)C(C)(O)C\C=C\C(C)(C)O)C2(C)C)C(O)C(O)C1O > InChI=1S/C47H78O18/c1-22-31(51)34(54)37(57)40(62-22)65-38-32(52)25(50)20-60-41(38)64-29-13-16-44(6)27(43(29,4)5)12-17-45(7)28(44)11-10-23-30(46(8,59)15-9-14-42(2,3)58)24(49)18-47(23,45)21-61-39-36(56)35(55)33(53)26(19-48)63-39/h9,14,22-23,25-41,48,50-59H,10-13,15-21H2,1-8H3/b14-9+ > YAFOSOWHFJFSLN-NTEUORMPSA-N > C47H78O18 > 931.1114 > 930.518815692 > 18 > 100.84137658649445 > 0 > 11 > 0 > 0 > 5-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-14-[(4E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2,6,6,10-tetramethyl-11-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-one > 1.01 > -0.19217679666666765 > -3.44 > 1 > 7 > 0 > 12.34345732537513 > 11.866757855616438 > -3.526877458794903 > 294.98 > 229.69080000000005 > 12 > 0 > 3.42e-01 g/l > 5-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-14-[(4E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2,6,6,10-tetramethyl-11-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-one > 0 > Hoduloside VII > 154971-11-6 $$$$