Mrv0541 01151413482D 91100 0 0 0 0 999 V2000 4.6000 -19.8125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6083 -18.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -20.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0417 -19.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1042 -21.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4625 -20.2167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8083 -22.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4708 -25.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1792 -19.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3292 -18.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1833 -24.3542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8083 -23.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4708 -26.4167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8875 -18.9958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1708 -19.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4625 -21.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8875 -23.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8917 -23.9375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7458 -21.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7500 -19.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -19.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5250 -23.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7542 -26.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3958 -21.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0917 -22.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -22.7083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1750 -20.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -25.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -25.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -22.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4583 -23.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -19.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 -20.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8833 -20.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8292 -21.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0417 -26.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2333 -23.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4667 -23.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8917 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -21.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0417 -25.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2333 -22.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4125 -20.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -21.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3083 -20.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -19.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -21.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -18.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -20.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3375 -17.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -21.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8833 -21.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -20.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -19.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -17.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -20.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -26.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -23.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -18.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 -22.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -24.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -27.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -19.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -24.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7833 -17.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -20.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 -21.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -26.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -23.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -22.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -20.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -19.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -19.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -22.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5667 -19.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -24.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5083 -22.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -23.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -22.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -25.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -16.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -16.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 -20.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -20.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -19.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 -20.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -24.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -21.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 48 1 0 0 0 0 5 24 1 0 0 0 0 6 15 1 0 0 0 0 7 25 1 1 0 0 0 8 28 1 0 0 0 0 9 32 1 1 0 0 0 10 2 1 0 0 0 0 11 18 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 3 1 0 0 0 0 16 6 1 0 0 0 0 17 26 1 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 4 20 1 1 0 0 0 21 14 1 0 0 0 0 22 12 1 0 0 0 0 23 13 1 0 0 0 0 24 44 1 0 0 0 0 25 5 1 0 0 0 0 26 54 1 1 0 0 0 27 9 1 0 0 0 0 11 28 1 6 0 0 0 29 8 1 0 0 0 0 30 7 1 0 0 0 0 31 26 1 0 0 0 0 32 20 1 0 0 0 0 33 21 1 0 0 0 0 34 27 1 0 0 0 0 35 5 1 0 0 0 0 36 23 1 0 0 0 0 37 22 1 0 0 0 0 38 31 1 0 0 0 0 39 2 2 0 0 0 0 40 19 1 0 0 0 0 41 29 1 0 0 0 0 42 30 1 0 0 0 0 43 24 1 0 0 0 0 40 44 1 1 0 0 0 45 1 1 0 0 0 0 46 3 1 0 0 0 0 47 39 1 0 0 0 0 48 45 1 0 0 0 0 49 6 1 0 0 0 0 50 46 1 0 0 0 0 51 4 1 0 0 0 0 52 57 1 0 0 0 0 53 10 1 0 0 0 0 54 55 1 0 0 0 0 34 55 1 1 0 0 0 56 20 2 0 0 0 0 57 43 1 0 0 0 0 58 53 1 0 0 0 0 59 49 1 0 0 0 0 13 60 1 6 0 0 0 12 61 1 6 0 0 0 14 62 1 6 0 0 0 17 63 1 6 0 0 0 18 64 1 1 0 0 0 23 65 1 6 0 0 0 21 66 1 1 0 0 0 22 67 1 6 0 0 0 68 51 1 0 0 0 0 33 69 1 6 0 0 0 35 70 1 1 0 0 0 36 71 1 1 0 0 0 37 72 1 1 0 0 0 19 73 1 6 0 0 0 1 74 1 6 0 0 0 3 75 1 1 0 0 0 6 76 1 1 0 0 0 77 19 1 0 0 0 0 52 78 1 1 0 0 0 38 79 1 1 0 0 0 80 73 1 0 0 0 0 81 79 1 0 0 0 0 42 82 1 6 0 0 0 41 83 1 6 0 0 0 84 58 1 0 0 0 0 85 58 1 0 0 0 0 16 86 1 6 0 0 0 15 87 1 6 0 0 0 10 88 1 1 0 0 0 24 89 1 6 0 0 0 8 90 1 6 0 0 0 5 91 1 1 0 0 0 4 10 1 0 0 0 0 47 15 1 0 0 0 0 50 16 1 0 0 0 0 58 68 1 0 0 0 0 40 59 1 0 0 0 0 33 34 1 0 0 0 0 52 35 1 0 0 0 0 11 38 1 0 0 0 0 42 37 1 0 0 0 0 41 36 1 0 0 0 0 M END > CHEBI:69371 > kalopanaxsaponin B > A triterpenoid saponin with hederagenin as the aglycone part. It has been isolated from the stem bark of Kalopanax pictus. > 3 > tauroside St-H2; tauroside H2; pulsatilla saponin F; pericarsaponin Pk; hederoside H1; hederagenin 3-O-alpha-L-rhamnopyranosyl-(1->2)-O-alpha-L-arabinopyranoside 28-O-alpha-L-rhamnopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl ester; hederacoside C; glycoside L-H2; akeboside Sth; akebia saponin PK > 6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-[(3beta)-3-{[2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose > C59H96O26 > 1221.37790 > 1220.61898 > 0 > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O > InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,55-,56-,57+,58+,59-/m0/s1 > RYHDIBJJJRNDSX-MCGLQMIESA-N > 14216-03-6 > 4229541 > 14216-03-6 > 21870831 $$$$