Mrv0541 12031315342D 93102 0 0 0 0 999 V2000 8.7000 0.4417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2625 -0.3833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2625 0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 -2.0375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8292 -1.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5500 -0.7958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5458 -0.3833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -2.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9792 0.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2583 -1.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1208 -0.7958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9625 -3.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9625 -0.8667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2625 -0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7833 -3.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3625 -0.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8333 -0.3833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5958 -1.6167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0250 -4.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1208 -1.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1875 -0.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1917 -4.2917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0292 -3.2667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5500 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -4.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3708 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 -0.3833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1375 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -5.0042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6083 -0.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9792 -0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -1.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5500 0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -4.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1958 -1.5792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9500 -4.9958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5500 0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 -2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -1.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5958 -0.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4083 0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 -2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.7833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4625 -4.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9792 1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0875 0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4542 -3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3042 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1958 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5958 0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -4.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4083 1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4333 -0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1833 -5.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 -2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -5.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -0.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1792 -4.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6083 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5333 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1083 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 -3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -6.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 -1.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -1.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -3.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -1.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -2.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1333 -3.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 0.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 36 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 15 1 0 0 0 0 1 8 1 1 0 0 0 9 20 1 0 0 0 0 10 1 1 0 0 0 0 11 43 1 0 0 0 0 12 19 1 0 0 0 0 13 26 1 0 0 0 0 14 30 1 1 0 0 0 15 11 1 0 0 0 0 16 5 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 6 1 0 0 0 0 20 31 1 0 0 0 0 21 25 1 0 0 0 0 22 51 1 0 0 0 0 23 18 1 0 0 0 0 24 17 1 0 0 0 0 25 32 1 0 0 0 0 4 26 1 6 0 0 0 27 13 1 0 0 0 0 28 14 1 0 0 0 0 29 1 1 0 0 0 0 30 8 1 0 0 0 0 5 31 1 1 0 0 0 9 32 1 6 0 0 0 33 22 1 0 0 0 0 34 41 1 0 0 0 0 35 23 1 0 0 0 0 36 29 1 0 0 0 0 37 9 1 0 0 0 0 38 3 2 0 0 0 0 39 21 1 0 0 0 0 40 28 1 0 0 0 0 41 27 1 0 0 0 0 7 42 1 1 0 0 0 44 43 1 1 0 0 0 44 33 1 0 0 0 0 45 20 1 0 0 0 0 46 25 1 0 0 0 0 47 6 1 0 0 0 0 48 38 1 0 0 0 0 49 1 1 0 0 0 0 50 12 1 0 0 0 0 51 47 1 0 0 0 0 52 37 1 0 0 0 0 53 39 1 0 0 0 0 54 10 1 0 0 0 0 55 8 2 0 0 0 0 56 46 1 0 0 0 0 57 45 1 0 0 0 0 58 54 1 0 0 0 0 59 50 1 0 0 0 0 60 42 2 0 0 0 0 18 61 1 6 0 0 0 17 62 1 6 0 0 0 21 63 1 6 0 0 0 16 64 1 6 0 0 0 23 65 1 1 0 0 0 24 66 1 1 0 0 0 67 49 1 0 0 0 0 2 68 1 6 0 0 0 35 69 1 6 0 0 0 34 70 1 1 0 0 0 37 71 1 1 0 0 0 39 72 1 1 0 0 0 29 73 1 6 0 0 0 74 42 1 0 0 0 0 6 75 1 1 0 0 0 12 76 1 1 0 0 0 52 77 1 1 0 0 0 53 78 1 6 0 0 0 40 79 1 1 0 0 0 41 80 1 1 0 0 0 81 33 1 0 0 0 0 82 33 1 0 0 0 0 83 79 1 0 0 0 0 84 80 1 0 0 0 0 85 58 1 0 0 0 0 86 58 1 0 0 0 0 19 87 1 6 0 0 0 11 88 1 6 0 0 0 25 89 1 6 0 0 0 20 90 1 6 0 0 0 22 91 1 6 0 0 0 13 92 1 6 0 0 0 10 93 1 1 0 0 0 2 3 1 0 0 0 0 58 67 1 0 0 0 0 19 48 1 0 0 0 0 35 40 1 0 0 0 0 22 12 1 0 0 0 0 59 44 1 0 0 0 0 16 7 1 0 0 0 0 24 34 1 0 0 0 0 52 57 1 0 0 0 0 53 56 1 0 0 0 0 M END > CHEBI:67503 > gordonoside O > 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-{[beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3)]-beta-D-glucopyranuronosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose > C58H92O28 > 1237.33430 > 1236.57751 > 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]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[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/C58H92O28/c1-53(2)14-15-58(52(76)86-49-40(72)37(69)35(67)27(19-60)80-49)23(16-53)22-8-9-29-55(5)12-11-31(54(3,4)28(55)10-13-56(29,6)57(22,7)17-30(58)63)81-51-45(85-48-39(71)36(68)34(66)26(18-59)79-48)42(41(73)43(83-51)46(74)75)82-50-44(33(65)25(62)21-78-50)84-47-38(70)32(64)24(61)20-77-47/h8,23-45,47-51,59-73H,9-21H2,1-7H3,(H,74,75)/t23-,24+,25-,26+,27+,28-,29+,30+,31-,32-,33-,34-,35+,36-,37-,38+,39+,40+,41-,42-,43-,44+,45+,47-,48-,49-,50-,51+,55-,56+,57+,58+/m0/s1 > GNQHWAAORKJVMT-UFJWLZDESA-N > 21534297 > 21473609 $$$$