3778105 CDK 0602212313 36 40 0 0 0 0 0 0 0 0999 V2000 2.9561 -1.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3932 -2.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2024 -2.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2747 -0.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5419 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2279 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1288 -1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5547 -1.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2279 0.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9360 1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6536 0.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8433 -1.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9360 -0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 0.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3879 -1.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6536 0.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0511 -0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5419 1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9161 2.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1413 0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4989 -0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6436 -1.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6503 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4012 1.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6536 2.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4012 2.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3427 0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 -2.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9945 -2.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2227 2.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6445 3.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2717 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5842 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 35 1 0 0 0 0 2 32 1 0 0 0 0 3 32 2 0 0 0 0 4 35 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 24 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 19 1 0 0 0 0 13 27 1 0 0 0 0 13 30 1 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 17 25 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 26 1 0 0 0 0 22 28 1 0 0 0 0 22 33 1 0 0 0 0 25 26 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 28 34 1 0 0 0 0 35 36 1 0 0 0 0 M END > CHEBI:175830 > beta-Boswellic acid acetate > 2 > 3-Acetoxyurs-12-en-23-oic acid > 3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid > C32H50O4 > 498.748 > 498.37091 > 0 > O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5C)C)C)=CC3)C)(CC2)C)(CC1)C)(C)C(O)=O)C(=O)C > InChI=1S/C32H50O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35) > YJBVHJIKNLBFDX-UHFFFAOYSA-N $$$$