Mrv0541 12161309572D 24 26 0 0 0 0 999 V2000 16.9052 -0.0704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3768 -0.0291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6472 -0.3855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1880 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6537 0.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0567 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6896 0.7504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5509 0.7420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3386 0.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8398 0.8084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5330 0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1953 1.4053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0161 1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1382 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4578 -0.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1313 -1.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6679 -1.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9010 -0.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4004 1.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8347 2.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3727 -0.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7623 1.5421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1009 1.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5803 1.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 5 2 0 0 0 0 16 6 2 0 0 0 0 3 17 1 6 0 0 0 1 18 1 1 0 0 0 10 19 1 1 0 0 0 12 20 1 6 0 0 0 2 21 1 6 0 0 0 8 22 1 1 0 0 0 7 23 1 6 0 0 0 11 10 1 0 0 0 0 8 13 1 0 0 0 0 9 5 1 0 0 0 0 19 24 1 0 0 0 0 M END > CHEBI:69328 > (1S,2R,5R,6S,7S,8S,10R)-6-hydroxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide > A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis. > 3 > (3aS,4S,4aR,7R,7aS,8R,9aS)-4-hydroxy-7-methoxy-4a,8-dimethyl-3-methylidenedecahydroazuleno[6,5-b]furan-2,5-dione > C16H22O5 > 294.34290 > 294.14672 > 0 > CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2O > InChI=1S/C16H22O5/c1-7-5-9-12(8(2)15(19)21-9)14(18)16(3)11(17)6-10(20-4)13(7)16/h7,9-10,12-14,18H,2,5-6H2,1,3-4H3/t7-,9+,10-,12-,13-,14+,16-/m1/s1 > FAIKGOKPMORPNZ-HFOVEJHBSA-N > 21902553 > 21894898 $$$$