Mrv0541 12031314472D 71 78 0 0 0 0 999 V2000 8.0833 -23.3542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6458 -24.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6458 -23.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -24.5917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2208 -25.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9375 -24.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2042 -23.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -22.9417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5083 -24.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6458 -25.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2125 -24.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6500 -24.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -25.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2208 -24.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9292 -24.2042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2208 -24.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9208 -25.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5083 -25.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6333 -24.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2083 -25.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1833 -25.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -24.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5042 -24.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -25.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7958 -25.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6083 -25.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3583 -24.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -22.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -25.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8833 -25.8542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9417 -23.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -25.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 -25.4167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2042 -24.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -25.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -23.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7958 -22.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7958 -24.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -25.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6292 -24.5792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3583 -22.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -22.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -24.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -21.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 -24.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -22.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -26.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 -23.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -26.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 -24.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3583 -24.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7958 -22.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -25.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -25.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -25.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7958 -24.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -22.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -23.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -23.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3417 -24.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 -26.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -26.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 -26.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -27.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -21.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -21.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -24.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -25.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -26.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 -24.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -23.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 27 1 0 0 0 0 3 8 1 0 0 0 0 4 2 1 0 0 0 0 5 13 1 0 0 0 0 6 12 1 0 0 0 0 1 7 1 1 0 0 0 8 1 1 0 0 0 0 9 16 1 0 0 0 0 10 32 1 0 0 0 0 11 23 1 1 0 0 0 12 10 1 0 0 0 0 13 10 1 0 0 0 0 14 5 1 0 0 0 0 15 11 1 0 0 0 0 16 4 1 0 0 0 0 17 20 1 0 0 0 0 18 9 1 0 0 0 0 19 15 1 0 0 0 0 20 24 1 0 0 0 0 21 11 1 0 0 0 0 22 1 1 0 0 0 0 23 7 1 0 0 0 0 5 24 1 1 0 0 0 25 18 1 0 0 0 0 26 30 1 0 0 0 0 27 22 1 0 0 0 0 28 3 2 0 0 0 0 29 17 1 0 0 0 0 30 21 1 0 0 0 0 6 31 1 1 0 0 0 33 32 1 1 0 0 0 33 25 1 0 0 0 0 34 20 1 0 0 0 0 35 4 1 0 0 0 0 36 28 1 0 0 0 0 37 1 1 0 0 0 0 38 9 1 0 0 0 0 39 35 1 0 0 0 0 40 29 1 0 0 0 0 41 8 1 0 0 0 0 42 7 2 0 0 0 0 43 34 1 0 0 0 0 44 41 1 0 0 0 0 45 38 1 0 0 0 0 46 31 2 0 0 0 0 13 47 1 6 0 0 0 15 48 1 6 0 0 0 17 49 1 6 0 0 0 14 50 1 6 0 0 0 19 51 1 1 0 0 0 52 37 1 0 0 0 0 2 53 1 6 0 0 0 26 54 1 6 0 0 0 29 55 1 1 0 0 0 22 56 1 6 0 0 0 57 31 1 0 0 0 0 4 58 1 1 0 0 0 9 59 1 1 0 0 0 40 60 1 1 0 0 0 30 61 1 1 0 0 0 62 25 1 0 0 0 0 63 25 1 0 0 0 0 64 61 1 0 0 0 0 65 44 1 0 0 0 0 66 44 1 0 0 0 0 10 67 1 6 0 0 0 16 68 1 6 0 0 0 18 69 1 6 0 0 0 20 70 1 6 0 0 0 8 71 1 1 0 0 0 2 3 1 0 0 0 0 44 52 1 0 0 0 0 16 36 1 0 0 0 0 19 26 1 0 0 0 0 39 18 1 0 0 0 0 45 33 1 0 0 0 0 14 6 1 0 0 0 0 40 43 1 0 0 0 0 M END > CHEBI:67499 > gordonoside K > A triterpenoid saponin with 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-{[3-O-(alpha-L-arabinopyranosyl)-beta-D-glucopyranuronosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose > C47H74O19 > 943.07910 > 942.48243 > 0 > CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C47H74O19/c1-42(2)14-15-47(41(60)66-39-32(55)30(53)29(52)23(18-48)62-39)21(16-42)20-8-9-25-44(5)12-11-27(43(3,4)24(44)10-13-45(25,6)46(20,7)17-26(47)50)63-40-34(57)35(33(56)36(65-40)37(58)59)64-38-31(54)28(51)22(49)19-61-38/h8,21-36,38-40,48-57H,9-19H2,1-7H3,(H,58,59)/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,32+,33-,34+,35-,36-,38-,39-,40+,44-,45+,46+,47+/m0/s1 > CGHIFJOGGKUIFS-SPTOROIVSA-N > 21534291 > 21473609 $$$$