Marvin 01211315392D 20 23 0 0 0 0 999 V2000 -4.4375 1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4375 1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7255 0.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7255 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 1.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3035 2.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5879 1.9060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5889 1.0772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8009 0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3129 1.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7993 2.1611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5121 1.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7257 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 2.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3014 0.6699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0163 1.0814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0152 0.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 18 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 7 1 0 0 0 0 10 12 2 0 0 0 0 1 2 1 0 0 0 0 9 13 2 0 0 0 0 5 6 1 0 0 0 0 3 14 1 1 0 0 0 17 8 1 0 0 0 0 5 15 1 1 0 0 0 7 6 1 0 0 0 0 7 16 1 6 0 0 0 18 17 1 0 0 0 0 18 19 1 6 0 0 0 17 19 1 6 0 0 0 7 8 1 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 18 1 0 0 0 0 8 20 1 6 0 0 0 5 4 1 0 0 0 0 M END > CHEBI:65856 > 5alpha-epoxyalantolactone > A sesquiterpene lactone that is the 5α-epoxy derivative of alantolactone. Isolated from the root extracts of Inula helenium, it exhibits antimycobacterial activity. > 3 > (1aR,2S,5aR,6aR,9aR,9bS)-2,5a-dimethyl-9-methylideneoctahydro-2H-oxireno[4,4a]naphtho[2,3-b]furan-8(9H)-one > C15H20O3 > 248.31750 > 248.14124 > 0 > [H][C@@]12C[C@@]3(C)CCC[C@H](C)[C@@]33O[C@H]3[C@]1([H])C(=C)C(=O)O2 > InChI=1S/C15H20O3/c1-8-5-4-6-14(3)7-10-11(9(2)13(16)17-10)12-15(8,14)18-12/h8,10-12H,2,4-7H2,1,3H3/t8-,10+,11+,12-,14+,15-/m0/s1 > YIQKVCDNUFDAHB-HKKVUVRFSA-N > 5031399 > 10364842 $$$$