Mrv0541 12031315162D 82 90 0 0 0 0 999 V2000 9.2458 -9.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8125 -10.4917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8125 -9.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -10.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3833 -11.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1000 -10.4958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3292 -10.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -12.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5250 -9.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6708 -10.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8042 -11.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4792 -13.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5875 -10.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8125 -10.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -12.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3833 -10.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4750 -14.2000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9875 -10.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3875 -10.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0458 -11.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6708 -11.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8125 -10.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1917 -14.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7583 -12.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -11.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2458 -10.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7667 -10.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -12.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -12.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -12.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2333 -10.9417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5250 -10.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -11.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9083 -14.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0958 -9.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8208 -11.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1000 -9.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -12.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 -11.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9042 -13.3708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0417 -10.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -11.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -9.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -9.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -10.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -12.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -10.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5250 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -9.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7542 -10.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2458 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 -10.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -9.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -12.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5667 -9.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -14.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6708 -10.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2250 -9.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -15.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -11.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0583 -10.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 -12.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6292 -14.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -10.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -9.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -10.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -10.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 -12.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -12.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -12.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8250 -13.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 -12.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 -13.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -11.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -11.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -12.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -10.0833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -11.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 32 1 0 0 0 0 3 9 1 0 0 0 0 4 2 1 0 0 0 0 5 15 1 0 0 0 0 6 14 1 0 0 0 0 1 7 1 1 0 0 0 8 20 1 0 0 0 0 9 1 1 0 0 0 0 10 19 1 0 0 0 0 11 38 1 0 0 0 0 12 24 1 0 0 0 0 13 27 1 1 0 0 0 14 11 1 0 0 0 0 15 11 1 0 0 0 0 16 5 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 4 1 0 0 0 0 20 28 1 0 0 0 0 21 46 1 0 0 0 0 22 18 1 0 0 0 0 23 17 1 0 0 0 0 8 24 1 6 0 0 0 25 13 1 0 0 0 0 26 1 1 0 0 0 0 27 7 1 0 0 0 0 5 28 1 1 0 0 0 29 12 1 0 0 0 0 30 21 1 0 0 0 0 31 22 1 0 0 0 0 32 26 1 0 0 0 0 33 8 1 0 0 0 0 34 23 1 0 0 0 0 35 3 2 0 0 0 0 36 25 1 0 0 0 0 6 37 1 1 0 0 0 39 38 1 1 0 0 0 39 30 1 0 0 0 0 40 29 1 0 0 0 0 41 20 1 0 0 0 0 42 4 1 0 0 0 0 43 35 1 0 0 0 0 44 1 1 0 0 0 0 45 10 1 0 0 0 0 46 42 1 0 0 0 0 47 33 1 0 0 0 0 48 9 1 0 0 0 0 49 7 2 0 0 0 0 50 41 1 0 0 0 0 51 60 1 0 0 0 0 52 45 1 0 0 0 0 53 37 2 0 0 0 0 15 54 1 6 0 0 0 18 55 1 6 0 0 0 17 56 1 6 0 0 0 16 57 1 6 0 0 0 22 58 1 1 0 0 0 23 59 1 6 0 0 0 60 44 1 0 0 0 0 2 61 1 6 0 0 0 31 62 1 6 0 0 0 33 63 1 1 0 0 0 34 64 1 1 0 0 0 26 65 1 6 0 0 0 66 37 1 0 0 0 0 4 67 1 1 0 0 0 10 68 1 1 0 0 0 47 69 1 1 0 0 0 36 70 1 1 0 0 0 71 30 1 0 0 0 0 72 30 1 0 0 0 0 73 70 1 0 0 0 0 40 74 1 6 0 0 0 75 51 1 0 0 0 0 76 51 1 0 0 0 0 12 77 1 6 0 0 0 20 78 1 6 0 0 0 19 79 1 6 0 0 0 21 80 1 6 0 0 0 9 81 1 1 0 0 0 11 82 1 6 0 0 0 2 3 1 0 0 0 0 48 51 1 0 0 0 0 19 43 1 0 0 0 0 31 36 1 0 0 0 0 21 10 1 0 0 0 0 52 39 1 0 0 0 0 16 6 1 0 0 0 0 47 50 1 0 0 0 0 34 40 1 0 0 0 0 M END > CHEBI:67501 > gordonoside M > A triterpenoid saponin that has 3,16-dihydroxyolean-12-en-28-oic acid as the aglycone. Isolated from the stems of Gordonia chrysandra, it exhibits a strong inhibitory effect on nitric oxide production. > 3 > 1-O-[(3beta,16alpha)-3-{[6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3)-beta-D-glucopyranuronosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose > C53H84O23 > 1089.22030 > 1088.54034 > 0 > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@@H]2[C@@H](O)[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6([C@H](O)C[C@@]54C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3(C)C)O[C@@H]([C@H]2O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O > InChI=1S/C53H84O23/c1-21-30(57)33(60)35(62)43(70-21)75-41-31(58)24(55)20-69-46(41)73-39-37(64)40(42(66)67)74-45(38(39)65)72-29-12-13-50(6)26(49(29,4)5)11-14-51(7)27(50)10-9-22-23-17-48(2,3)15-16-53(23,28(56)18-52(22,51)8)47(68)76-44-36(63)34(61)32(59)25(19-54)71-44/h9,21,23-41,43-46,54-65H,10-20H2,1-8H3,(H,66,67)/t21-,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,43-,44-,45+,46-,50-,51+,52+,53+/m0/s1 > PNVAFUMGIGXLFN-IJUOOPMQSA-N > 21534293 > 21473609 $$$$