Mrv0541 12181314292D 25 27 0 0 0 0 999 V2000 32.3982 -17.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6098 -18.2644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 35.3593 -18.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7622 -18.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9000 -16.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0778 -18.2229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 35.0442 -17.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2562 -17.4475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 31.8923 -18.7206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.5480 -17.3853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 33.3521 -18.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2329 -18.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7213 -16.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1001 -16.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2749 -16.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1639 -18.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8410 -19.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8310 -16.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4361 -19.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5351 -16.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2572 -19.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8974 -17.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0736 -19.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.8171 -19.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4635 -16.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 10 1 0 0 0 0 13 5 1 0 0 0 0 10 14 1 6 0 0 0 15 14 1 0 0 0 0 16 3 2 0 0 0 0 17 4 2 0 0 0 0 18 15 2 0 0 0 0 9 19 1 6 0 0 0 20 5 1 0 0 0 0 21 9 1 0 0 0 0 22 15 1 0 0 0 0 6 23 1 6 0 0 0 2 24 1 6 0 0 0 8 25 1 6 0 0 0 9 12 1 0 0 0 0 6 8 1 0 0 0 0 3 4 1 0 0 0 0 M END > CHEBI:69348 > inuchinenolide B > A sesquiterpene lactone that is 3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one substituted by a hydroxy group at position 5, methyl groups at positions 5 and 8, an acetyloxy group at position 7 and a methylidene group at position 3. It has been isolated from the aerial parts of Inula hupehensis. > 3 > (3aR,4aR,5R,7S,9aR)-5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2,3,3a,4,4a,5,6,7,9,9a-decahydroazuleno[6,5-b]furan-7-yl acetate > C17H22O5 > 306.35360 > 306.14672 > 0 > CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2C[C@H]3[C@@H](CC(C)=C12)OC(=O)C3=C > InChI=1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h11-14,20H,2,5-7H2,1,3-4H3/t11-,12-,13-,14+,17-/m1/s1 > PHMCCYUSORUPSX-MNLSVMLLSA-N > 24081613 > 21894898 $$$$