Mrv0541 12031315042D 81 89 0 0 0 0 999 V2000 9.4042 0.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9667 -0.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9667 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -0.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5417 -1.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2583 -0.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6667 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -2.0500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6792 0.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8292 -0.8125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9667 -1.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1042 0.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9708 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -2.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5417 -0.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1000 1.2917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5417 -0.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1125 -1.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3167 -4.1083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8292 -1.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8208 1.7042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3167 -3.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8167 0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -0.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3917 0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5333 1.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6792 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -1.6292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2542 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -4.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5292 0.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2625 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -1.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1167 -0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 -2.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -0.8042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7458 -4.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6792 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6500 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3875 1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -4.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8208 2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2500 1.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 -2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 -5.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4667 -4.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2417 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2375 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -3.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -1.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -2.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 0.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 30 1 0 0 0 0 3 9 1 0 0 0 0 4 2 1 0 0 0 0 5 14 1 0 0 0 0 6 13 1 0 0 0 0 1 7 1 1 0 0 0 8 18 1 0 0 0 0 9 1 1 0 0 0 0 10 17 1 0 0 0 0 11 36 1 0 0 0 0 12 25 1 1 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 15 5 1 0 0 0 0 16 12 1 0 0 0 0 17 4 1 0 0 0 0 18 26 1 0 0 0 0 19 22 1 0 0 0 0 20 44 1 0 0 0 0 21 16 1 0 0 0 0 22 27 1 0 0 0 0 23 12 1 0 0 0 0 24 1 1 0 0 0 0 25 7 1 0 0 0 0 5 26 1 1 0 0 0 8 27 1 6 0 0 0 28 20 1 0 0 0 0 29 21 1 0 0 0 0 30 24 1 0 0 0 0 31 8 1 0 0 0 0 32 3 2 0 0 0 0 33 19 1 0 0 0 0 34 23 1 0 0 0 0 6 35 1 1 0 0 0 37 36 1 1 0 0 0 37 28 1 0 0 0 0 38 18 1 0 0 0 0 39 22 1 0 0 0 0 40 4 1 0 0 0 0 41 32 1 0 0 0 0 42 1 1 0 0 0 0 43 10 1 0 0 0 0 44 40 1 0 0 0 0 45 31 1 0 0 0 0 46 33 1 0 0 0 0 47 9 1 0 0 0 0 48 7 2 0 0 0 0 49 39 1 0 0 0 0 50 38 1 0 0 0 0 51 59 1 0 0 0 0 52 43 1 0 0 0 0 53 35 2 0 0 0 0 14 54 1 6 0 0 0 16 55 1 6 0 0 0 19 56 1 6 0 0 0 15 57 1 6 0 0 0 21 58 1 1 0 0 0 59 42 1 0 0 0 0 2 60 1 6 0 0 0 29 61 1 6 0 0 0 31 62 1 1 0 0 0 33 63 1 1 0 0 0 24 64 1 6 0 0 0 65 35 1 0 0 0 0 4 66 1 1 0 0 0 10 67 1 1 0 0 0 45 68 1 1 0 0 0 46 69 1 1 0 0 0 34 70 1 1 0 0 0 71 28 1 0 0 0 0 72 28 1 0 0 0 0 73 70 1 0 0 0 0 74 51 1 0 0 0 0 75 51 1 0 0 0 0 11 76 1 6 0 0 0 22 77 1 6 0 0 0 18 78 1 6 0 0 0 17 79 1 6 0 0 0 20 80 1 6 0 0 0 9 81 1 1 0 0 0 2 3 1 0 0 0 0 47 51 1 0 0 0 0 17 41 1 0 0 0 0 29 34 1 0 0 0 0 20 10 1 0 0 0 0 52 37 1 0 0 0 0 15 6 1 0 0 0 0 45 50 1 0 0 0 0 46 49 1 0 0 0 0 M END > CHEBI:67500 > gordonoside L > 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-{[alpha-L-arabinopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3)-beta-D-glucopyranuronosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose > C52H82O23 > 1075.19370 > 1074.52469 > 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(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/C52H82O23/c1-47(2)14-15-52(46(67)75-43-35(62)33(60)32(59)25(18-53)70-43)22(16-47)21-8-9-27-49(5)12-11-29(48(3,4)26(49)10-13-50(27,6)51(21,7)17-28(52)56)71-44-37(64)38(36(63)39(73-44)41(65)66)72-45-40(31(58)24(55)20-69-45)74-42-34(61)30(57)23(54)19-68-42/h8,22-40,42-45,53-64H,9-20H2,1-7H3,(H,65,66)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39-,40+,42-,43-,44+,45-,49-,50+,51+,52+/m0/s1 > DIPDDQDKKVVWRH-ILKBLGRDSA-N > 21534292 > 21473609 $$$$