Mrv0541 05061307312D 109114 0 0 0 0 999 V2000 0.0000 2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6217 -2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -8.6625 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 -3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.0000 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 -5.0013 -3.7125 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 -0.4125 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6842 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0342 -2.8875 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 -3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 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 7.1447 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 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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 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -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 -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 7.8592 2.0625 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 10.0026 -0.8250 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 7.1447 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 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 9.2881 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.8250 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 1.4289 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 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 8.5737 -0.8250 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 7.8592 0.4125 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 1.4289 0.8250 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 8.5737 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -1.2375 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 7.8592 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -0.4125 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 6.4302 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.8875 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 9.2881 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.4125 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 0.7145 2.0625 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 8.5737 0.8250 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 9.2881 -2.0625 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 7.8592 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.0625 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 37 3 1 0 0 0 0 37 20 2 0 0 0 0 37 23 1 0 0 0 0 38 4 1 0 0 0 0 38 21 1 0 0 0 0 38 27 2 0 0 0 0 39 5 1 0 0 0 0 39 22 1 0 0 0 0 39 26 2 0 0 0 0 40 6 1 0 0 0 0 40 24 2 0 0 0 0 40 30 1 0 0 0 0 41 7 1 0 0 0 0 41 25 2 0 0 0 0 41 35 1 0 0 0 0 42 8 1 0 0 0 0 42 31 2 0 0 0 0 43 9 1 0 0 0 0 44 10 1 0 0 0 0 45 30 1 0 0 0 0 45 31 1 0 0 0 0 46 32 1 0 0 0 0 47 33 1 0 0 0 0 48 34 1 0 0 0 0 49 36 1 0 0 0 0 50 43 1 0 0 0 0 51 44 1 0 0 0 0 52 46 1 0 0 0 0 53 47 1 0 0 0 0 54 48 1 0 0 0 0 55 49 1 0 0 0 0 56 52 1 0 0 0 0 57 53 1 0 0 0 0 58 55 1 0 0 0 0 59 50 1 0 0 0 0 60 54 1 0 0 0 0 61 56 1 0 0 0 0 62 58 1 0 0 0 0 63 57 1 0 0 0 0 65 51 1 0 0 0 0 65 64 1 0 0 0 0 66 59 1 0 0 0 0 67 60 1 0 0 0 0 68 42 1 0 0 0 0 69 64 1 0 0 0 0 70 61 1 0 0 0 0 71 62 1 0 0 0 0 72 63 1 0 0 0 0 73 66 1 0 0 0 0 74 67 1 0 0 0 0 75 11 1 0 0 0 0 75 13 1 0 0 0 0 75 28 1 0 0 0 0 76 12 1 0 0 0 0 76 14 1 0 0 0 0 76 29 1 0 0 0 0 77 32 1 0 0 0 0 78 33 1 0 0 0 0 79 34 1 0 0 0 0 80 45 1 0 0 0 0 81 50 1 0 0 0 0 82 51 1 0 0 0 0 83 52 1 0 0 0 0 84 53 1 0 0 0 0 85 54 1 0 0 0 0 86 55 1 0 0 0 0 87 56 1 0 0 0 0 88 57 1 0 0 0 0 89 58 1 0 0 0 0 90 59 1 0 0 0 0 91 60 1 0 0 0 0 92 61 1 0 0 0 0 93 62 1 0 0 0 0 94 63 1 0 0 0 0 95 64 1 0 0 0 0 96 68 2 0 0 0 0 97 35 1 0 0 0 0 97 69 1 0 0 0 0 98 36 1 0 0 0 0 98 73 1 0 0 0 0 99 44 1 0 0 0 0 99 69 1 0 0 0 0 100 43 1 0 0 0 0 100 73 1 0 0 0 0 101 46 1 0 0 0 0 101 70 1 0 0 0 0 102 47 1 0 0 0 0 102 72 1 0 0 0 0 103 48 1 0 0 0 0 103 74 1 0 0 0 0 104 49 1 0 0 0 0 104 71 1 0 0 0 0 105 66 1 0 0 0 0 105 68 1 0 0 0 0 106 65 1 0 0 0 0 106 71 1 0 0 0 0 107 67 1 0 0 0 0 107 70 1 0 0 0 0 108 72 1 0 0 0 0 108 75 1 0 0 0 0 109 74 1 0 0 0 0 109 76 1 0 0 0 0 M END > FDB012286 > foodb > 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)C4OC4OC(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/C76H124O33/c1-13-75(11,108-72-63(94)57(88)53(84)47(33-78)102-72)28-18-26-39(5)22-16-24-40(6)30-45(80)31-42(8)68(96)105-66-59(90)50(81)43(9)100-73(66)98-36-49-55(86)58(89)62(93)71(104-49)106-65-51(82)44(10)99-69(64(65)95)97-35-41(7)25-17-23-37(3)20-15-21-38(4)27-19-29-76(12,14-2)109-74-67(60(91)54(85)48(34-79)103-74)107-70-61(92)56(87)52(83)46(32-77)101-70/h13-14,20,24-27,31,43-67,69-74,77-95H,1-2,15-19,21-23,28-30,32-36H2,3-12H3/b37-20-,38-27+,39-26-,40-24-,41-25+,42-31- > KUPGGXGLYVOMMG-UOSNZFRRSA-N > C76H124O33 > 1565.778 > 1564.802486494 > 32 > 163.915746842737 > 0 > 19 > 0 > 0 > 2-({6-[(2-{[(2E,6Z,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-4,5-dihydroxy-6-methyloxan-3-yl (2Z,6Z,10Z)-4-hydroxy-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraenoate > 1.58 > 0.9805628979999989 > -4.27 > 1 > 6 > 0 > 12.071144725567567 > 11.671407794637974 > -3.678628761973063 > 521.4300000000003 > 388.53119999999956 > 40 > 0 > 8.37e-02 g/l > 2-({6-[(2-{[(2E,6Z,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-4,5-dihydroxy-6-methyloxan-3-yl (2Z,6Z,10Z)-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 > FDB012286 > Capsianside A $$$$