CDK 1018121544 52 58 0 0 0 0 0 0 0 0999 V2000 13.8708 -10.6875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1458 -11.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2833 -10.7000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2875 -9.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8167 -7.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5792 -11.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2042 -7.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9833 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1583 -10.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5375 -10.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0542 -10.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0667 -9.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1417 -11.9208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5625 -12.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2792 -11.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4333 -12.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3958 -7.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8417 -11.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8708 -9.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7167 -11.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3250 -8.8542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2792 -11.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -12.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4333 -10.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5833 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5833 -11.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1333 -8.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8583 -12.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8500 -7.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -11.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1125 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3625 -10.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5625 -10.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7167 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5667 -5.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3042 -11.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5625 -13.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2792 -11.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2833 -9.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1208 -12.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8042 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9792 -8.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -10.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0083 -13.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8417 -13.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7792 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9208 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7917 -7.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5708 -10.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -12.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1333 -12.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8917 -9.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 17 1 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 11 1 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 2 1 0 0 0 0 14 15 1 0 0 0 0 15 23 1 0 0 0 0 16 13 1 0 0 0 0 17 27 1 0 0 0 0 18 14 1 0 0 0 0 1 19 1 6 0 0 0 20 16 1 0 0 0 0 21 12 1 0 0 0 0 22 15 1 0 0 0 0 20 23 1 1 0 0 0 24 2 1 0 0 0 0 25 19 1 0 0 0 0 26 6 1 0 0 0 0 27 21 1 0 0 0 0 28 13 1 0 0 0 0 17 29 1 1 0 0 0 30 18 1 0 0 0 0 31 29 1 0 0 0 0 32 10 2 0 0 0 0 33 22 1 0 0 0 0 34 24 1 0 0 0 0 35 31 2 0 0 0 0 11 36 1 6 0 0 0 14 37 1 6 0 0 0 3 38 1 6 0 0 0 4 39 1 1 0 0 0 18 40 1 1 0 0 0 41 8 1 0 0 0 0 42 8 1 0 0 0 0 30 43 1 6 0 0 0 44 16 1 0 0 0 0 45 16 1 0 0 0 0 21 46 1 6 0 0 0 47 31 1 0 0 0 0 7 48 1 1 0 0 0 6 49 1 1 0 0 0 15 50 1 6 0 0 0 13 51 1 6 0 0 0 12 52 1 6 0 0 0 2 9 1 1 0 0 0 26 28 1 0 0 0 0 20 34 1 0 0 0 0 3 4 1 0 0 0 0 10 12 1 0 0 0 0 30 33 1 0 0 0 0 8 5 1 0 0 0 0 M END > CHEBI:70244 > 23-O-acetylshengmanol 3-O-beta-D-xylopyranoside > A natural product found in Actaea racemosa. > 2 > C37H58O10 > 662.85040 > 662.40300 > 0 > [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22CC[C@]4(C)[C@@]([H])([C@H](C)C[C@@H](OC(C)=O)[C@]5([H])OC5(C)C)C(=O)[C@H](O)[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C > InChI=1S/C37H58O10/c1-18(15-21(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26+,28-,29+,30+,31+,34-,35-,36-,37+/m1/s1 > IHEJMZHKJYHVFF-JUKRZFGDSA-N > 21082802 $$$$