Mrv0541 11281315192D 72 79 0 0 0 0 999 V2000 5.4297 -9.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8463 -10.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2588 -9.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8251 -13.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8251 -14.2471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5371 -14.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 -13.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2492 -13.4220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2457 -14.2471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9546 -14.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6714 -14.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9616 -13.0103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6710 -13.4306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6879 -11.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9669 -12.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3974 -12.2046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3836 -13.0259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0841 -13.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8028 -13.0499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1118 -11.8037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8123 -12.2305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5284 -11.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -11.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1272 -10.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1111 -14.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -15.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 -15.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 -12.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2377 -15.0681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9545 -13.8346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6628 -12.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3754 -13.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5214 -12.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -14.2492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6076 -13.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3185 -13.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 -13.4241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0357 -14.2501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3201 -14.6662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3198 -15.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 -14.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7486 -13.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7466 -12.1848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0343 -15.9040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0299 -11.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -10.9534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7378 -10.5354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4550 -10.9450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4606 -11.7727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7469 -15.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4591 -15.9008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4631 -16.7262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7487 -17.1407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0301 -16.7298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3153 -17.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7512 -17.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1791 -17.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1722 -15.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8882 -15.8959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1765 -12.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1672 -10.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7327 -9.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3089 -10.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -10.9622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6084 -15.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0377 -12.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0419 -15.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2373 -12.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5108 -13.4735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -10.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3921 -11.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1047 -12.6262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25 34 1 0 0 0 0 34 35 1 0 0 0 0 8 9 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 16 20 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 17 18 1 0 0 0 0 39 40 1 6 0 0 0 18 19 1 0 0 0 0 38 41 1 1 0 0 0 19 21 1 0 0 0 0 37 42 1 1 0 0 0 20 21 1 0 0 0 0 42 43 1 0 0 0 0 4 5 1 0 0 0 0 40 44 1 0 0 0 0 43 45 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 20 24 1 0 0 0 0 43 49 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 44 50 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 2 1 0 0 0 0 2 24 1 0 0 0 0 12 13 1 0 0 0 0 44 54 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 5 25 1 1 0 0 0 54 55 1 6 0 0 0 4 7 1 0 0 0 0 53 56 1 1 0 0 0 6 26 1 0 0 0 0 52 57 1 6 0 0 0 5 6 1 0 0 0 0 51 58 1 1 0 0 0 6 27 1 0 0 0 0 58 59 1 0 0 0 0 6 9 1 0 0 0 0 49 60 1 6 0 0 0 8 28 1 1 0 0 0 48 61 1 1 0 0 0 8 7 1 0 0 0 0 47 62 1 6 0 0 0 9 29 1 6 0 0 0 46 63 1 1 0 0 0 12 15 1 0 0 0 0 63 64 1 0 0 0 0 12 30 1 6 0 0 0 34 65 1 6 0 0 0 13 17 1 0 0 0 0 43 66 1 6 0 0 0 13 31 1 1 0 0 0 44 67 1 6 0 0 0 16 14 1 0 0 0 0 33 68 2 0 0 0 0 17 32 1 6 0 0 0 19 69 1 6 0 0 0 14 15 1 0 0 0 0 14 70 2 0 0 0 0 21 33 1 1 0 0 0 16 71 1 1 0 0 0 16 17 1 0 0 0 0 20 72 1 1 0 0 0 M END > CHEBI:69607 > clethroidoside G > A triterpenoid saponin that is (3β,16α)-3,16-dihydroxy-12-oxooleanan-28-al attached to a β-D-glucopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the aerial parts of Lysimachia clethroides. > 3 > 3-O-beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl-3beta,16alpha-dihydroxy-12-oxoolean-28-al > (3beta,16alpha)-16-hydroxy-12,28-dioxooleanan-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranoside > C47H76O18 > 929.09550 > 928.50317 > 0 > CC1(C)CC[C@]2(C=O)[C@H](O)C[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C[C@@H]1[C@@]2(C)CC[C@H](O[C@@H]4OC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]2CC[C@@]31C > InChI=1S/C47H76O18/c1-42(2)12-13-47(20-50)21(15-42)30-22(51)14-27-44(5)10-9-29(43(3,4)26(44)8-11-45(27,6)46(30,7)16-28(47)52)64-41-38(65-40-37(59)35(57)32(54)24(18-49)62-40)33(55)25(19-60-41)63-39-36(58)34(56)31(53)23(17-48)61-39/h20-21,23-41,48-49,52-59H,8-19H2,1-7H3/t21-,23+,24+,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,44-,45+,46+,47+/m0/s1 > GOTSIHVHBCEBJP-CBBBAJFRSA-N > 22007801 > 21928797 $$$$