Mrv1533004171515042D 63 67 0 0 0 0 999 V2000 -3.0298 -11.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3654 -10.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -9.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -9.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7311 -8.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -7.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5817 -6.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9173 -6.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7378 -6.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4324 -5.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6119 -5.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -4.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -4.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1624 -3.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4174 -2.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1347 -1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9416 -1.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 -0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4317 -0.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1768 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6302 0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3331 2.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 2.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4739 1.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 2.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8329 2.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7288 1.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2665 -3.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0735 -3.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 -4.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1354 -4.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 -5.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1973 -5.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4522 -5.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9002 -6.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2592 -6.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6874 -3.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4944 -3.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4325 -2.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9845 -2.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6255 -2.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3706 -1.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -4.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 -3.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3507 -4.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -5.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1353 -4.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7484 -4.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -4.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7045 -3.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -3.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1023 -4.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8869 -3.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 -4.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1461 -5.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -4.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -5.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9106 -8.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5751 -9.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -9.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7244 -10.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 17 1 4 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 26 29 2 0 0 0 0 21 29 1 0 0 0 0 14 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 33 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 31 43 1 0 0 0 0 43 44 1 0 0 0 0 14 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 49 47 1 4 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 2 0 0 0 0 51 57 1 0 0 0 0 45 58 1 0 0 0 0 12 58 1 0 0 0 0 58 59 1 0 0 0 0 5 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 3 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > NP0217210 > NP-MRD > COC1=CC(C=CC(=O)OCC2OC(COC(=O)C=CC3=CC=C(O)C(OC)=C3)(OC3OC(COC(C)=O)C(O)C(O)C3O)C(OC(=O)C=CC3=CC=C(O)C=C3)C2O)=CC=C1O > InChI=1S/C43H46O20/c1-23(44)57-20-32-37(51)39(53)40(54)42(60-32)63-43(22-59-35(49)16-10-26-7-14-29(47)31(19-26)56-3)41(61-36(50)17-8-24-4-11-27(45)12-5-24)38(52)33(62-43)21-58-34(48)15-9-25-6-13-28(46)30(18-25)55-2/h4-19,32-33,37-42,45-47,51-54H,20-22H2,1-3H3 > YHQFVWGSNAWSJL-UHFFFAOYSA-N > C43H46O20 > 882.821 > 882.258243881 > 16 > 109 > 87.49481723953576 > 0 > 7 > 0 > 0 > [5-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-hydroxy-5-({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 3.10 > 3.787924104333333 > -4.27 > 1 > 5 > 0 > 9.722483042440741 > 9.17306122884886 > -3.649087469562792 > 292.96 > 215.4978 > 21 > 0 > 4.69e-02 g/l > [5-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-hydroxy-5-({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 0 > NP0217210 > [5-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-hydroxy-5-({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate $$$$