Mrv0541 02241208162D 69 75 0 0 0 0 999 V2000 -3.2124 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2124 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0731 -1.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3609 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3609 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0731 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0731 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -1.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0676 -2.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7797 -1.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7797 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0676 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9273 -1.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6423 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6423 0.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3572 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0722 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0722 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3572 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 0.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4947 -2.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3572 -1.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7872 -1.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7872 0.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3572 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0722 1.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0704 1.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0704 2.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 3.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3637 2.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3637 1.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7839 1.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7853 3.0977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 3.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0786 3.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7935 2.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4989 1.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 1.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 2.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 3.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4989 2.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 0.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6424 1.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 3.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 3.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4989 4.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 0.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -1.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -3.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -3.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3573 -3.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3573 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -4.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0722 -3.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7872 -3.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 -3.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4989 -3.0935 0.0000 C 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 2 19 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 24 1 0 0 0 0 23 30 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 28 1 0 0 0 0 26 33 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 39 44 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 44 49 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 48 49 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 55 57 2 0 0 0 0 56 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 59 64 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 61 68 1 0 0 0 0 62 63 1 0 0 0 0 62 65 1 0 0 0 0 63 64 2 0 0 0 0 63 66 1 0 0 0 0 66 67 1 0 0 0 0 68 69 1 0 0 0 0 M END > CHEM030959 > chemdb > COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(O)C(O)C6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O > InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)67-40-35(57)31(53)25(14-46)65-43(40)69-41-36(58)32(54)26(15-47)66-44(41)68-39-33(55)28-20(49)11-19(62-42-37(59)34(56)30(52)24(13-45)64-42)12-21(28)63-38(39)17-4-6-18(48)7-5-17/h3-12,24-26,30-32,34-37,40-49,51-54,56-59H,13-15H2,1-2H3/b8-3+ > YXXQWPJFPHUNRF-FPYGCLRLSA-N > C44H50O25 > 978.8528 > 978.26411715 > 24 > 93.53854787161194 > 0 > 13 > 0 > 0 > 2-[(4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate > 0.76 > -1.465190848333332 > -2.73 > 1 > 7 > 0 > 8.657758570913938 > 8.07465636367572 > -3.6491073616397616 > 389.43000000000006 > 226.3273 > 16 > 0 > 1.81e+00 g/l > 2-[(4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate > 0 > Kaempferol 3-(2'''-sinapoylsophoroside) 7-glucoside > 61042-11-3 $$$$