Mrv0541 05061312032D 70 75 0 0 0 0 999 V2000 1.7309 3.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 6.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 6.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 11.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9184 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 8.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0434 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 4.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 4.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1559 0.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1559 2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 5.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5684 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 4.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3934 1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 5.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 4.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 6.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 11.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 8.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5684 1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 5.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 5.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3934 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8059 0.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 5.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9184 1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 12.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 5.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 12.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 6.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 9.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 11.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 8.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 9.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 6.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 3.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 10.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 7.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 5.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 5.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8059 -0.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 0.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 12.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 5.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 12.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 7.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 1.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 10.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 11.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 8.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 0.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 4.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 10.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 3.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 7.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 5.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 1.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 10.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 7.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 5.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 1 2 0 0 0 0 14 11 1 0 0 0 0 15 12 2 0 0 0 0 16 13 2 0 0 0 0 21 2 2 0 0 0 0 21 3 1 0 0 0 0 22 4 1 0 0 0 0 22 11 1 0 0 0 0 22 17 2 0 0 0 0 23 5 1 0 0 0 0 24 6 1 0 0 0 0 25 7 1 0 0 0 0 26 12 1 0 0 0 0 26 13 1 0 0 0 0 26 18 2 0 0 0 0 27 17 1 0 0 0 0 27 19 1 0 0 0 0 28 14 1 0 0 0 0 28 21 1 0 0 0 0 28 27 2 0 0 0 0 29 15 1 0 0 0 0 30 18 1 0 0 0 0 30 29 2 0 0 0 0 31 20 1 0 0 0 0 32 16 1 0 0 0 0 33 23 1 0 0 0 0 34 31 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 39 35 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 24 1 0 0 0 0 42 37 1 0 0 0 0 43 25 1 0 0 0 0 43 38 1 0 0 0 0 44 36 1 0 0 0 0 45 40 1 0 0 0 0 46 39 1 0 0 0 0 47 41 1 0 0 0 0 48 44 1 0 0 0 0 49 8 1 0 0 0 0 49 10 1 0 0 0 0 49 19 1 0 0 0 0 50 29 1 0 0 0 0 51 32 2 0 0 0 0 52 33 1 0 0 0 0 53 34 1 0 0 0 0 54 35 1 0 0 0 0 55 36 1 0 0 0 0 56 37 1 0 0 0 0 57 38 1 0 0 0 0 58 39 1 0 0 0 0 59 40 1 0 0 0 0 60 41 1 0 0 0 0 61 9 1 0 0 0 0 61 30 1 0 0 0 0 62 20 1 0 0 0 0 62 45 1 0 0 0 0 63 23 1 0 0 0 0 63 46 1 0 0 0 0 64 24 1 0 0 0 0 64 45 1 0 0 0 0 65 25 1 0 0 0 0 65 47 1 0 0 0 0 66 31 1 0 0 0 0 66 48 1 0 0 0 0 67 32 1 0 0 0 0 67 42 1 0 0 0 0 68 43 1 0 0 0 0 68 46 1 0 0 0 0 69 44 1 0 0 0 0 69 47 1 0 0 0 0 70 48 1 0 0 0 0 70 49 1 0 0 0 0 M END > CHEM033840 > chemdb > COC1=C(O)C=CC(\C=C/C(=O)OC2C(C)OC(OCC3OC(OC(C)(CC4=C(CCC(C)=C4)C(C)=C)C=C)C(OC4OC(C)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)=C1 > InChI=1S/C49H70O21/c1-10-49(8,19-27-17-22(4)11-14-28(27)21(2)3)70-48-44(69-47-41(60)38(57)43(25(7)65-47)68-46-39(58)35(54)33(52)23(5)63-46)36(55)34(53)31(66-48)20-62-45-40(59)37(56)42(24(6)64-45)67-32(51)16-13-26-12-15-29(50)30(18-26)61-9/h10,12-13,15-18,23-25,31,33-48,50,52-60H,1-2,11,14,19-20H2,3-9H3/b16-13- > UGYZEBXYEVENGE-SSZFMOIBSA-N > C49H70O21 > 995.0675 > 994.440959302 > 20 > 102.98298615365049 > 0 > 10 > 0 > 0 > 6-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-({2-methyl-1-[5-methyl-2-(prop-1-en-2-yl)cyclohexa-1,5-dien-1-yl]but-3-en-2-yl}oxy)oxan-2-yl]methoxy}-4,5-dihydroxy-2-methyloxan-3-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 1.30 > 1.7671195000000017 > -3.40 > 1 > 6 > 0 > 11.774588974954481 > 9.862340099081152 > -3.6765054759304654 > 311.6700000000001 > 244.6470000000001 > 18 > 0 > 3.95e-01 g/l > 6-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-({2-methyl-1-[5-methyl-2-(prop-1-en-2-yl)cyclohexa-1,5-dien-1-yl]but-3-en-2-yl}oxy)oxan-2-yl]methoxy}-4,5-dihydroxy-2-methyloxan-3-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 0 > (3x,5x,10x)-9,10-Didehydroisohumbertiol O-[rhamnopyranosyl-(1->4)-rhamnopyranosyl-(1->2)-[(E)-feruloyl-(->4)-rhamnosyl-(1->6)]-glucoside] > 143363-61-5 $$$$