Compound 35 CDK 0517191930 48 51 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0065 -0.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -1.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4555 -0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 -2.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4163 -0.8093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4098 -2.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1278 -1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4098 0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 -2.0364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8392 -0.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8327 -2.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5507 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6369 0.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3968 1.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8261 -3.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8014 2.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 -3.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5376 -3.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3837 2.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0952 -4.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 -3.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 -4.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7884 3.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8066 -4.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3707 -4.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2425 -4.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6108 3.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3707 4.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 -5.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3641 -5.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0154 4.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7753 5.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 -6.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 5.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0848 -5.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6331 -6.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0024 5.8285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8093 -6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3445 -7.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0914 -7.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 -6.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5339 -5.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0979 -8.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5404 -7.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5404 -4.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 1 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 6 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 28 33 1 0 0 0 0 30 34 1 0 0 0 0 31 35 2 0 0 0 0 33 36 1 0 0 0 0 34 37 2 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 37 40 1 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 39 43 1 0 0 0 0 41 44 1 0 0 0 0 41 45 1 0 0 0 0 43 46 1 0 0 0 0 44 47 1 0 0 0 0 45 48 1 0 0 0 0 9 11 1 0 0 0 0 25 27 1 0 0 0 0 35 37 1 0 0 0 0 43 44 1 0 0 0 0 M END > CHEBI:143756 > methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4H-pyran-3-carboxylate > 2 > C31H42O17 > 686.656 > 686.242 > 0 > O=C(OC)C1=CO[C@@H](OC2OC(C(O)C(C2O)O)COC3OC(C(O)C(C3O)O)CO)\C(\[C@@H]1CC(=O)OCCC4=CC=C(O)C=C4)=C/C > InChI=1S/C31H42O17/c1-3-16-17(10-21(34)43-9-8-14-4-6-15(33)7-5-14)18(28(41)42-2)12-44-29(16)48-31-27(40)25(38)23(36)20(47-31)13-45-30-26(39)24(37)22(35)19(11-32)46-30/h3-7,12,17,19-20,22-27,29-33,35-40H,8-11,13H2,1-2H3/b16-3-/t17-,19?,20?,22?,23?,24?,25?,26?,27?,29-,30?,31?/m0/s1 > FVQYDVAAZIXQID-HNZYNQOQSA-N $$$$