Mrv0541 02101416012D 59 64 0 0 0 0 999 V2000 1.6446 -3.6589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9329 -4.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 -4.8915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6466 -5.3061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3618 -4.8931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3634 -4.0654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0764 -3.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0759 -5.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6455 -6.1311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2179 -5.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7924 -4.0604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7932 -4.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 -5.2955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2205 -4.8840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2197 -4.0580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5032 -3.6436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9341 -3.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9349 -5.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5048 -6.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5008 -2.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2168 -6.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6407 -2.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0456 -0.3508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3332 -0.7674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9083 -0.7798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6167 -0.3591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0456 0.4742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9167 -1.6048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2084 -2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3207 0.8867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8290 0.7284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6041 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8206 1.5533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0998 1.9574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2207 -2.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5082 -1.6174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8290 -0.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3416 -1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1959 -0.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 -2.0090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3123 0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5166 -0.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6788 1.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 1.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0456 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 1.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8958 0.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5289 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2497 1.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8082 2.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6871 0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3871 2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.1840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 -2.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0291 1.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 1.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -2.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5082 -2.4298 0.0000 C 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 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 6 0 0 0 5 8 1 1 0 0 0 4 9 1 6 0 0 0 3 10 1 1 0 0 0 11 7 1 1 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 15 17 1 6 0 0 0 14 18 1 1 0 0 0 13 19 1 6 0 0 0 16 20 1 6 0 0 0 10 21 1 0 0 0 0 1 22 1 1 0 0 0 29 28 1 0 0 0 0 30 27 1 0 0 0 0 31 27 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 33 34 1 1 0 0 0 36 35 1 1 0 0 0 36 29 1 0 0 0 0 37 23 1 0 0 0 0 38 24 1 0 0 0 0 39 25 1 0 0 0 0 40 38 1 0 0 0 0 41 37 1 0 0 0 0 42 39 1 0 0 0 0 43 44 2 0 0 0 0 44 50 1 0 0 0 0 23 45 1 6 0 0 0 30 46 1 1 0 0 0 24 47 1 1 0 0 0 25 48 1 1 0 0 0 49 33 1 0 0 0 0 50 49 1 0 0 0 0 51 33 1 0 0 0 0 52 43 1 0 0 0 0 53 43 1 0 0 0 0 26 54 1 6 0 0 0 28 55 1 6 0 0 0 27 56 1 1 0 0 0 31 57 1 6 0 0 0 31 41 1 0 0 0 0 26 32 1 0 0 0 0 25 28 1 0 0 0 0 42 36 1 0 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 26 24 1 0 0 0 0 27 23 1 0 0 0 0 29 58 1 0 0 0 0 28 40 1 0 0 0 0 29 59 1 0 0 0 0 40 22 1 6 0 0 0 M END > CHEBI:77151 > ginsenoside Rg2 > A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3β, 6α, 12β and 20 pro-S positions, in which the hydroxy group at position 6 has been converted to the corresponding α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. > 3 > Prosapogenin C2; ginsenoside Rg2; Ginsenoside C; Chikusetsusaponin I > (3beta,6alpha,12beta)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside; (3beta,6alpha,12beta)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside > C42H72O13 > 785.01330 > 784.49729 > 0 > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2C[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@H](CC[C@@]34C)[C@@](C)(O)CCC=C(C)C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]23)[C@H](O)[C@H](O)[C@H]1O > InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1 > AGBCLJAHARWNLA-DQUQINEDSA-N > 6627213 > 52286-74-5 > 5720818 > 52286-74-5 > CPD-15444 > 12661769; 15617510; 19673396; 20508917; 22031031; 22062806; 22261865; 23626475; 23742679; 24117771; 24198651 $$$$