Mrv0541 05061311012D 98102 0 0 0 0 999 V2000 10.5256 -9.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1940 -7.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8756 -11.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8440 -5.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7006 -9.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0190 -7.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -13.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -11.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 -8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 1 2 0 0 0 0 14 2 2 0 0 0 0 20 15 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 16 1 0 0 0 0 25 17 1 0 0 0 0 26 18 1 0 0 0 0 27 19 1 0 0 0 0 28 18 1 0 0 0 0 29 19 1 0 0 0 0 36 3 1 0 0 0 0 36 20 2 0 0 0 0 36 23 1 0 0 0 0 37 4 1 0 0 0 0 37 21 1 0 0 0 0 37 26 2 0 0 0 0 38 5 1 0 0 0 0 38 22 1 0 0 0 0 38 27 2 0 0 0 0 39 6 1 0 0 0 0 39 24 2 0 0 0 0 39 30 1 0 0 0 0 40 7 1 0 0 0 0 40 25 2 0 0 0 0 40 34 1 0 0 0 0 41 8 1 0 0 0 0 41 31 2 0 0 0 0 42 9 1 0 0 0 0 43 10 1 0 0 0 0 44 30 1 0 0 0 0 44 31 1 0 0 0 0 45 32 1 0 0 0 0 46 33 1 0 0 0 0 47 35 1 0 0 0 0 48 42 1 0 0 0 0 49 43 1 0 0 0 0 50 45 1 0 0 0 0 51 46 1 0 0 0 0 52 47 1 0 0 0 0 53 50 1 0 0 0 0 54 51 1 0 0 0 0 55 52 1 0 0 0 0 56 48 1 0 0 0 0 57 55 1 0 0 0 0 58 53 1 0 0 0 0 59 54 1 0 0 0 0 61 49 1 0 0 0 0 61 60 1 0 0 0 0 62 56 1 0 0 0 0 63 41 1 0 0 0 0 64 60 1 0 0 0 0 65 57 1 0 0 0 0 66 58 1 0 0 0 0 67 59 1 0 0 0 0 68 62 1 0 0 0 0 69 11 1 0 0 0 0 69 13 1 0 0 0 0 69 28 1 0 0 0 0 70 12 1 0 0 0 0 70 14 1 0 0 0 0 70 29 1 0 0 0 0 71 32 1 0 0 0 0 72 33 1 0 0 0 0 73 44 1 0 0 0 0 74 48 1 0 0 0 0 75 49 1 0 0 0 0 76 50 1 0 0 0 0 77 51 1 0 0 0 0 78 52 1 0 0 0 0 79 53 1 0 0 0 0 80 54 1 0 0 0 0 81 55 1 0 0 0 0 82 56 1 0 0 0 0 83 57 1 0 0 0 0 84 58 1 0 0 0 0 85 59 1 0 0 0 0 86 60 1 0 0 0 0 87 63 2 0 0 0 0 88 34 1 0 0 0 0 88 64 1 0 0 0 0 89 35 1 0 0 0 0 89 68 1 0 0 0 0 90 43 1 0 0 0 0 90 64 1 0 0 0 0 91 42 1 0 0 0 0 91 68 1 0 0 0 0 92 45 1 0 0 0 0 92 66 1 0 0 0 0 93 46 1 0 0 0 0 93 67 1 0 0 0 0 94 47 1 0 0 0 0 94 65 1 0 0 0 0 95 62 1 0 0 0 0 95 63 1 0 0 0 0 96 61 1 0 0 0 0 96 65 1 0 0 0 0 97 66 1 0 0 0 0 97 69 1 0 0 0 0 98 67 1 0 0 0 0 98 70 1 0 0 0 0 M END > CHEM032673 > chemdb > CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C1O > InChI=1S/C70H114O28/c1-13-69(11,97-66-58(84)53(79)50(76)45(32-71)92-66)28-18-26-37(4)21-15-20-36(3)23-17-25-40(7)34-88-64-60(86)61(49(75)43(10)90-64)96-65-57(83)55(81)52(78)47(94-65)35-89-68-62(56(82)48(74)42(9)91-68)95-63(87)41(8)31-44(73)30-39(6)24-16-22-38(5)27-19-29-70(12,14-2)98-67-59(85)54(80)51(77)46(33-72)93-67/h13-14,20,24-27,31,42-62,64-68,71-86H,1-2,15-19,21-23,28-30,32-35H2,3-12H3/b36-20+,37-26+,38-27+,39-24+,40-25-,41-31+ > ZFVCQAZTCYDXDU-CLLGTIJNSA-N > C70H114O28 > 1403.6374 > 1402.749663064 > 27 > 151.29547479724977 > 0 > 16 > 0 > 0 > 2-({6-[(3,5-dihydroxy-2-methyl-6-{[(2Z,6E,10E)-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraen-1-yl]oxy}oxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-4,5-dihydroxy-6-methyloxan-3-yl (2E,6E,10E)-4-hydroxy-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraenoate > 2.33 > 2.751398543666666 > -4.34 > 1 > 5 > 0 > 12.081066478577776 > 11.67202507403673 > -3.678628761973063 > 442.2800000000002 > 356.1178999999996 > 37 > 0 > 6.47e-02 g/l > 2-({6-[(3,5-dihydroxy-2-methyl-6-{[(2Z,6E,10E)-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraen-1-yl]oxy}oxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-4,5-dihydroxy-6-methyloxan-3-yl (2E,6E,10E)-4-hydroxy-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraenoate > 0 > Capsianoside G $$$$