Mrv0541 05061311382D 84 94 0 0 0 0 999 V2000 5.1741 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 1.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3672 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 2.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 0.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5081 -1.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5122 -2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4910 2.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 2.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 2.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 0.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0789 -1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9251 -2.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 -1.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2491 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0299 -0.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6023 -2.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4291 1.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3036 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1122 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 2.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1296 -2.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3389 -0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4093 -1.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 -1.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 4.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 -0.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 4.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9704 -0.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 5.6479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1939 3.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 1.5228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 -1.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7585 0.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9613 -2.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 5.6479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 4.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 3.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2253 -1.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 3.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8374 -4.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6444 -4.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1964 -4.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0034 -4.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -3.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7063 -3.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2854 -3.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9414 -5.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5554 -5.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0653 -3.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8994 -3.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5001 1.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8329 0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9195 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2523 -0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4984 -0.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4118 0.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2539 0.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6733 -0.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3389 -1.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8312 -0.9321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4574 -3.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 1 2 0 0 0 0 9 2 1 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 7 1 0 0 0 0 14 8 2 0 0 0 0 23 1 1 0 0 0 0 23 2 2 0 0 0 0 23 3 1 0 0 0 0 24 5 2 0 0 0 0 24 6 1 0 0 0 0 25 7 2 0 0 0 0 25 8 1 0 0 0 0 26 4 1 0 0 0 0 26 15 2 0 0 0 0 27 16 2 0 0 0 0 27 17 1 0 0 0 0 28 9 2 0 0 0 0 28 10 1 0 0 0 0 29 11 2 0 0 0 0 29 12 1 0 0 0 0 30 13 2 0 0 0 0 30 14 1 0 0 0 0 31 16 1 0 0 0 0 31 18 2 0 0 0 0 32 17 2 0 0 0 0 32 18 1 0 0 0 0 33 15 1 0 0 0 0 33 19 2 0 0 0 0 34 20 2 0 0 0 0 34 21 1 0 0 0 0 35 20 1 0 0 0 0 36 19 1 0 0 0 0 37 21 2 0 0 0 0 38 22 1 0 0 0 0 39 26 1 0 0 0 0 39 36 2 0 0 0 0 40 27 1 0 0 0 0 41 35 2 0 0 0 0 41 37 1 0 0 0 0 41 40 1 0 0 0 0 42 35 1 0 0 0 0 42 39 1 0 0 0 0 43 38 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 24 1 0 0 0 0 46 40 1 0 0 0 0 47 25 1 0 0 0 0 47 42 1 0 0 0 0 48 45 1 0 0 0 0 49 22 1 0 0 0 0 50 28 1 0 0 0 0 51 29 1 0 0 0 0 52 31 1 0 0 0 0 53 32 1 0 0 0 0 54 33 1 0 0 0 0 55 43 1 0 0 0 0 56 44 1 0 0 0 0 57 45 1 0 0 0 0 58 34 1 0 0 0 0 58 48 1 0 0 0 0 59 36 1 0 0 0 0 59 47 1 0 0 0 0 60 37 1 0 0 0 0 60 46 1 0 0 0 0 61 38 1 0 0 0 0 61 48 1 0 0 0 0 63 62 1 0 0 0 0 64 63 1 0 0 0 0 65 64 1 0 0 0 0 66 65 1 0 0 0 0 67 66 1 0 0 0 0 68 62 1 0 0 0 0 69 64 1 0 0 0 0 70 65 1 0 0 0 0 71 66 1 0 0 0 0 72 63 1 0 0 0 0 72 67 1 0 0 0 0 74 73 1 0 0 0 0 75 74 1 0 0 0 0 76 75 1 0 0 0 0 77 76 1 0 0 0 0 78 77 1 0 0 0 0 79 73 1 0 0 0 0 80 75 1 0 0 0 0 81 76 1 0 0 0 0 82 77 1 0 0 0 0 83 74 1 0 0 0 0 83 78 1 0 0 0 0 54 67 1 0 0 0 0 30 84 1 0 0 0 0 53 78 1 0 0 0 0 M END > CHEM033422 > chemdb > OCC1OC(OC2=CC(C3C(OC4=C3C(\C=C\C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C4)C3=CC=C(O)C=C3)=C3C(C(OC3=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O > InChI=1S/C60H62O24/c61-22-40-47(68)50(71)53(74)58(82-40)77-34-17-29(15-33(67)18-34)44-45-37(19-36(79-60-55(76)52(73)49(70)42(24-63)84-60)21-39(45)81-56(44)26-5-11-31(65)12-6-26)46-43-28(4-1-25-2-9-30(64)10-3-25)16-35(78-59-54(75)51(72)48(69)41(23-62)83-59)20-38(43)80-57(46)27-7-13-32(66)14-8-27/h1-21,40-42,44,46-76H,22-24H2/b4-1+ > OERCOQRGXRNZRU-DAFODLJHSA-N > C60H62O24 > 1167.1199 > 1166.363102912 > 24 > 115.93239978777007 > 0 > 16 > 0 > 0 > 2-{[3-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-3-yl]-2,3-dihydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 2.41 > 1.7143937736666672 > -4.14 > 1 > 11 > 0 > 9.272576090780245 > 8.844629424066204 > -3.6789465902358707 > 397.5200000000001 > 289.05670000000003 > 15 > 0 > 8.42e-02 g/l > 2-{[3-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-3-yl]-2,3-dihydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Foeniculoside IV > 168010-13-7 $$$$