Ketcher 10031911062D 1 1.00000 0.00000 0 47 52 0 1 0 999 V2000 7.6426 -27.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7868 -26.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7961 -25.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9219 -27.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 -25.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0662 -26.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9127 -28.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0754 -25.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9496 -24.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2012 -27.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2198 -25.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0939 -23.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0885 -24.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2449 -23.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9539 -23.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0885 -25.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3795 -24.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2490 -22.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9170 -22.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2365 -25.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3712 -25.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5183 -23.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3712 -23.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1103 -22.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5190 -25.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6520 -24.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6520 -25.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2365 -24.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4123 -25.9636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9428 -24.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8221 -23.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7857 -22.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9075 -26.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5535 -26.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7453 -22.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7453 -21.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8892 -20.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6092 -20.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0300 -21.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8930 -19.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6098 -19.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7445 -19.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0319 -19.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4710 -19.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7477 -18.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4730 -18.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4200 -27.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 4 7 1 6 0 0 5 8 1 0 0 0 5 9 1 1 0 0 6 10 1 1 0 0 8 11 1 6 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 14 17 1 0 0 0 14 18 1 0 0 0 15 19 1 0 0 0 16 20 1 0 0 0 17 21 1 0 0 0 17 22 1 0 0 0 17 23 1 6 0 0 18 24 1 0 0 0 21 25 1 0 0 0 22 26 1 0 0 0 25 27 1 0 0 0 19 24 1 0 0 0 20 21 1 0 0 0 26 27 1 0 0 0 14 28 1 1 0 0 21 29 1 1 0 0 13 30 1 1 0 0 19 31 1 1 0 0 30 31 1 0 0 0 31 32 2 0 0 0 25 33 1 1 0 0 25 34 1 6 0 0 34 1 1 0 0 0 9 12 1 0 0 0 6 8 1 0 0 0 19 35 1 6 0 0 36 35 1 1 0 0 36 37 1 0 0 0 36 38 1 0 0 0 37 39 1 6 0 0 37 40 1 0 0 0 38 41 1 0 0 0 40 42 1 0 0 0 40 43 1 1 0 0 41 44 1 1 0 0 42 45 1 6 0 0 44 46 1 0 0 0 41 42 1 0 0 0 34 47 2 0 0 0 M END > CHEBI:145021 > rubusoside > A steviol glycoside that is steviol in which both the carboxy group and the tertiary allylic hydroxy group have been converted to their corresponding β-D-glucosides. A precious bioactive natural sweetener which mainly exists the in Chinese sweet tea plant, Rubus suavissimus. > 3 > rubusoside > 1-O-[13alpha-(beta-D-glucopyranosyloxy)-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl]-beta-D-glucopyranose > C32H50O13 > 642.739 > 642.32514 > 0 > O([C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)C([C@]2([C@@]3([C@]([C@]4([C@]5(C[C@@](CC4)(C(C5)=C)O[C@H]6[C@H](O)[C@H]([C@H](O)[C@H](O6)CO)O)CC3)[H])(CCC2)C)[H])C)=O > InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(41)44-26-24(39)22(37)20(35)16(12-33)42-26)19(31)6-10-32(15,14-31)45-27-25(40)23(38)21(36)17(13-34)43-27/h16-27,33-40H,1,4-14H2,2-3H3/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1 > YWPVROCHNBYFTP-OSHKXICASA-N > CPD-14505 > 15610349 $$$$