Mrv0541 09121200562D 98102 0 0 0 0 999 V2000 -6.8969 5.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8830 4.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8969 3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4052 3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4463 4.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4052 5.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8969 6.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8969 4.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8830 3.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4052 2.4716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 4.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3401 3.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 2.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8179 2.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7769 3.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8179 4.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7769 5.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3401 4.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 4.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8179 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8782 2.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1053 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8782 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3725 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3725 2.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8782 3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 2.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8782 1.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1053 0.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3725 -0.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6286 2.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6286 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1782 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 2.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1782 2.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 2.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6286 1.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -0.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -4.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 -5.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -6.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0816 -6.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0406 -5.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0816 -4.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -3.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0406 -3.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -5.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 -6.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0816 -7.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8761 -2.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1696 -1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8830 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7471 -1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0335 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3224 -1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9001 -1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4755 -1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7644 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0506 -1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3714 -1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0826 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7961 -1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0826 -2.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7644 -2.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 -2.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7016 6.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 7.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2794 6.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5657 7.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8546 6.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1434 7.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4299 6.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2813 7.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9924 6.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7033 7.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4171 6.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 7.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8394 6.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5528 7.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 6.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4176 7.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8546 5.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9924 5.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2571 6.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4241 6.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6104 6.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 -3.4007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2075 -2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5097 -1.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7016 5.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7097 -2.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 92 1 0 0 0 0 7 93 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 97 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 27 38 1 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 32 40 1 0 0 0 0 33 34 1 0 0 0 0 33 39 1 0 0 0 0 34 35 1 0 0 0 0 34 96 1 0 0 0 0 35 36 1 0 0 0 0 35 41 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 42 43 1 0 0 0 0 42 47 1 0 0 0 0 42 48 1 0 0 0 0 43 44 1 0 0 0 0 43 51 1 0 0 0 0 44 45 1 0 0 0 0 44 50 1 0 0 0 0 45 46 1 0 0 0 0 45 52 1 0 0 0 0 46 47 1 0 0 0 0 46 49 1 0 0 0 0 48 94 1 0 0 0 0 49 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 57 1 0 0 0 0 55 56 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 60 72 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 64 71 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 98 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 69 95 2 0 0 0 0 69 96 1 0 0 0 0 73 74 2 0 0 0 0 73 88 1 0 0 0 0 73 97 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 2 0 0 0 0 77 89 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 2 0 0 0 0 81 90 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 91 1 0 0 0 0 85 92 1 0 0 0 0 86 87 2 0 0 0 0 M END > CHEM032802 > chemdb > CC1OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C(OC2OC(COC3OC(C)C(O)C(OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C1O > InChI=1S/C70H114O28/c1-13-69(11,97-67-57(83)53(79)50(76)45(32-71)92-67)28-18-26-37(4)21-15-20-36(3)23-17-25-40(7)34-88-64-60(86)62(49(75)43(10)90-64)96-66-56(82)55(81)52(78)47(94-66)35-89-65-59(85)61(48(74)42(9)91-65)95-63(87)41(8)31-44(73)30-39(6)24-16-22-38(5)27-19-29-70(12,14-2)98-68-58(84)54(80)51(77)46(33-72)93-68/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+ > CTMGCBZTYRLGIU-CLLGTIJNSA-N > C70H114O28 > 1403.6374 > 1402.749663064 > 27 > 151.04029414807135 > 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)-3,5-dihydroxy-6-methyloxan-4-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 > 2.35 > 2.751398543666666 > -4.33 > 1 > 5 > 0 > 12.001581529101948 > 11.606407610049429 > -3.6786287619641804 > 442.2800000000001 > 356.11789999999985 > 37 > 0 > 6.60e-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)-3,5-dihydroxy-6-methyloxan-4-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 H $$$$