Mrv0541 12031313532D 88 96 0 0 0 0 999 V2000 8.5458 -0.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9792 0.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5458 0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1167 -1.6875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8333 -0.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8333 -0.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0250 -2.0958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2583 0.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5417 -1.6875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4042 -0.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2458 -3.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5458 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -0.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0667 -3.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1208 -0.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6875 -1.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7417 -4.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4042 -1.6875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4750 -4.3542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7417 -3.3333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8333 -2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6917 0.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8250 -4.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 -0.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4000 -2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -5.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2583 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -1.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8333 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -4.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2333 -5.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1208 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 -2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -1.6875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4042 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8292 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1708 -4.1458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9792 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2583 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6917 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 -3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1250 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5458 0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6917 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -4.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -5.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -5.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6917 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 0.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8917 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4083 0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -6.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4458 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8250 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5542 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 -3.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 -1.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -2.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4208 -3.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2583 -0.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 25 1 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 13 1 0 0 0 0 8 17 1 0 0 0 0 9 3 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 12 22 1 0 0 0 0 13 10 1 0 0 0 0 14 5 1 0 0 0 0 15 12 1 0 0 0 0 16 6 1 0 0 0 0 17 26 1 0 0 0 0 18 21 1 0 0 0 0 19 45 1 0 0 0 0 20 15 1 0 0 0 0 21 27 1 0 0 0 0 4 22 1 6 0 0 0 23 2 1 0 0 0 0 24 12 1 0 0 0 0 25 30 1 0 0 0 0 5 26 1 1 0 0 0 8 27 1 6 0 0 0 28 19 1 0 0 0 0 29 20 1 0 0 0 0 30 1 1 0 0 0 0 31 8 1 0 0 0 0 32 3 2 0 0 0 0 33 18 1 0 0 0 0 34 24 1 0 0 0 0 35 39 1 0 0 0 0 7 36 1 1 0 0 0 38 37 1 1 0 0 0 38 28 1 0 0 0 0 23 39 1 6 0 0 0 40 17 1 0 0 0 0 41 21 1 0 0 0 0 42 6 1 0 0 0 0 43 16 1 0 0 0 0 44 11 1 0 0 0 0 45 42 1 0 0 0 0 46 35 1 0 0 0 0 47 31 1 0 0 0 0 48 33 1 0 0 0 0 49 50 1 0 0 0 0 50 9 1 0 0 0 0 51 23 1 0 0 0 0 52 40 1 0 0 0 0 53 41 1 0 0 0 0 54 44 1 0 0 0 0 55 35 2 0 0 0 0 56 36 2 0 0 0 0 57 46 2 0 0 0 0 2 58 1 1 0 0 0 15 59 1 6 0 0 0 18 60 1 6 0 0 0 14 61 1 6 0 0 0 20 62 1 1 0 0 0 1 63 1 6 0 0 0 29 64 1 1 0 0 0 31 65 1 1 0 0 0 33 66 1 1 0 0 0 25 67 1 6 0 0 0 68 36 1 0 0 0 0 6 69 1 1 0 0 0 11 70 1 1 0 0 0 48 71 1 6 0 0 0 47 72 1 1 0 0 0 34 73 1 1 0 0 0 74 28 1 0 0 0 0 75 28 1 0 0 0 0 76 58 1 0 0 0 0 77 73 1 0 0 0 0 78 49 1 0 0 0 0 79 49 1 0 0 0 0 80 46 1 0 0 0 0 81 57 1 0 0 0 0 21 82 1 6 0 0 0 17 83 1 6 0 0 0 16 84 1 6 0 0 0 19 85 1 6 0 0 0 12 86 1 6 0 0 0 9 87 1 1 0 0 0 10 88 1 6 0 0 0 2 9 1 0 0 0 0 43 32 1 0 0 0 0 19 11 1 0 0 0 0 49 51 1 0 0 0 0 54 38 1 0 0 0 0 14 7 1 0 0 0 0 29 34 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 M END > CHEBI:67497 > gordonoside I > A triterpenoid saponin that is 3,16,28-trihydroxyolean-12-en-22-yl (2Z)-2-methylbut-2-enoate attached to a tetrasaccharide residue at position 3 via a glycosidic linkage. Isolated from the stems of Gordonia chrysandra, it exhibits a strong inhibitory effect on nitric oxide production. > 3 > 3-O-beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->2)]-beta-D-glucuronopyranosyl-22alpha-angeloyloxyolean-12-ene-16alpha,28-diol > (3beta,16alpha,22alpha)-16,28-dihydroxy-22-{[(2Z)-2-methylbut-2-enoyl]oxy}olean-12-en-3-yl beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3)]-beta-D-glucopyranosiduronic acid > C57H90O24 > 1159.31010 > 1158.58220 > 0 > C\C=C(\C)C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=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@@]4(C)[C@]3(C)C[C@@H](O)[C@@]12CO > InChI=1S/C57H90O24/c1-10-24(2)47(72)76-34-19-52(3,4)17-26-25-11-12-31-54(7)15-14-33(53(5,6)30(54)13-16-55(31,8)56(25,9)18-32(62)57(26,34)23-59)77-51-45(81-49-40(68)38(66)37(65)29(20-58)75-49)42(41(69)43(79-51)46(70)71)78-50-44(36(64)28(61)22-74-50)80-48-39(67)35(63)27(60)21-73-48/h10-11,26-45,48-51,58-69H,12-23H2,1-9H3,(H,70,71)/b24-10-/t26-,27+,28-,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+,48-,49-,50-,51+,54-,55+,56+,57-/m0/s1 > BHKKNGSHLSYLPN-KOYGLFPPSA-N > 21534294 > 21473609 $$$$