Mrv0541 05061312452D 73 82 0 0 0 0 999 V2000 -3.1592 0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9842 0.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3951 0.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 1.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 1.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7451 0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2201 0.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9201 0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4376 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6502 0.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6502 1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4376 1.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0629 0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7779 0.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7779 1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0629 1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 -0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4477 -0.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6591 -1.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0702 -2.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2714 -1.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0616 -1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4925 1.7895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4552 -1.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3972 -2.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5947 -1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3337 -1.7450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9112 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5287 -0.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7331 -1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1723 -0.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 0.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9702 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1813 -2.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0489 -2.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6368 -3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 -3.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5996 -2.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0483 -4.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1841 1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9805 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1952 2.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 2.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 3.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6389 3.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 3.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6126 2.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 4.4508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9979 -0.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6656 -2.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4617 -2.7452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6722 -3.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0866 -4.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2905 -3.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0801 -3.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4683 -3.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0539 -3.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -2.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 -4.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2971 -4.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 2.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7782 3.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7784 3.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 4.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2074 3.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 3.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9219 4.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9221 5.0892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0637 2.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4931 5.0895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 4.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 23 63 1 0 0 0 0 24 52 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 35 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 33 34 2 0 0 0 0 34 42 1 0 0 0 0 35 36 2 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 39 40 2 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 49 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 47 50 1 0 0 0 0 48 49 2 0 0 0 0 52 53 1 0 0 0 0 52 57 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 58 1 0 0 0 0 55 56 1 0 0 0 0 55 62 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 57 60 1 0 0 0 0 58 59 1 0 0 0 0 63 64 1 0 0 0 0 63 68 1 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 65 73 1 0 0 0 0 66 67 1 0 0 0 0 66 72 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 M END > CHEM034652 > chemdb > OCC1OC(OC2=CC3=C(C(C(O3)C3=CC=C(O)C=C3)C3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3)C(=C2)C2C(OC3=C2C(\C=C\C2=CC=C(O)C=C2)=CC(O)=C3)C2=CC=C(O)C=C2)C(O)C(O)C1O > InChI=1S/C54H52O19/c55-22-39-45(62)47(64)49(66)53(72-39)68-34-17-28(16-32(60)18-34)42-43-36(20-35(69-54-50(67)48(65)46(63)40(23-56)73-54)21-38(43)71-51(42)25-5-11-30(58)12-6-25)44-41-27(4-1-24-2-9-29(57)10-3-24)15-33(61)19-37(41)70-52(44)26-7-13-31(59)14-8-26/h1-21,39-40,42,44-67H,22-23H2/b4-1+ > VAKPECSFQPSYGO-DAFODLJHSA-N > C54H52O19 > 1004.9793 > 1004.310279482 > 19 > 101.55184913492317 > 0 > 13 > 0 > 0 > 2-({4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-3-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol > 3.51 > 3.982461867000001 > -4.44 > 1 > 10 > 0 > 9.14702242692916 > 8.747801831534893 > -3.6789465892609448 > 318.37 > 256.9123 > 12 > 0 > 3.66e-02 g/l > 2-({4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-3-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Foeniculoside III > 168010-12-6 $$$$