Mrv0541 02241215592D 67 73 0 0 0 0 999 V2000 -3.6043 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 -1.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8916 -1.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1788 -1.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1788 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8916 -0.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4647 -1.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7519 -1.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7519 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4647 -0.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7519 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4647 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 -0.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2129 0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3043 -2.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 -2.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 1.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3211 -1.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1788 0.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7519 0.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7849 1.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0213 2.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 2.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4647 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4537 2.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1704 1.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 2.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 1.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 2.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4647 -3.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1802 -3.8306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1802 -4.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4647 -5.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 -4.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 -3.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8957 -5.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6097 -4.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4647 -5.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -5.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0351 -3.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 -3.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2129 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4388 -3.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -2.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2129 -2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4525 -1.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2643 -3.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4525 -4.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8056 -4.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 3.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4495 3.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4495 4.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 5.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0268 4.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0268 3.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1636 5.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 4.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 5.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6873 5.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6901 3.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 29 1 0 0 0 0 26 57 1 0 0 0 0 27 36 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 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 38 39 1 0 0 0 0 38 42 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 40 45 1 0 0 0 0 41 46 1 0 0 0 0 42 43 1 0 0 0 0 46 47 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 56 1 0 0 0 0 49 50 1 0 0 0 0 49 55 1 0 0 0 0 50 51 1 0 0 0 0 50 54 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 57 58 1 0 0 0 0 57 62 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 63 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 61 62 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 64 1 0 0 0 0 M END > CHEM024910 > chemdb > CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(C\C=C\C(C)(C)O)OC3OC(CO)C(O)C(O)C3O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O > InChI=1S/C48H82O19/c1-21-30(53)33(56)36(59)40(62-21)66-38-35(58)32(55)26(20-50)65-42(38)63-24-18-47(8)27(45(6)15-12-28(52)44(4,5)39(24)45)17-23(51)29-22(11-16-46(29,47)7)48(9,14-10-13-43(2,3)61)67-41-37(60)34(57)31(54)25(19-49)64-41/h10,13,21-42,49-61H,11-12,14-20H2,1-9H3/b13-10+ > RSOHUXCZIQMEMQ-JLHYYAGUSA-N > C48H82O19 > 963.1533 > 962.545030442 > 19 > 103.53898649591855 > 0 > 13 > 0 > 0 > 2-{[2-({5,16-dihydroxy-14-[(4E)-6-hydroxy-6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-4-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > -0.07 > -1.313973362666668 > -2.97 > 1 > 7 > 0 > 12.32019100518113 > 11.852321245868128 > -3.6121826294395536 > 318.37 > 236.47330000000008 > 12 > 0 > 1.03e+00 g/l > 2-{[2-({5,16-dihydroxy-14-[(4E)-6-hydroxy-6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-4-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 0 > Majoroside F6 > 125310-00-1 $$$$