Marvin 08191309082D 29 31 0 0 0 0 999 V2000 5.7172 -21.8603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7172 -22.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4293 -23.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4293 -21.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1414 -21.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1379 -22.6854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5671 -21.8664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8537 -21.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5636 -22.6915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8472 -23.0992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0136 -23.9066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8329 -23.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1726 -23.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2412 -24.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9807 -23.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2838 -21.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2882 -20.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0048 -20.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5758 -20.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7172 -20.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0091 -19.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3402 -22.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0015 -21.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5131 -22.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -23.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9991 -20.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1299 -23.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5591 -23.5105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2759 -22.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 14 2 0 0 0 0 5 8 1 0 0 0 0 13 15 2 0 0 0 0 6 10 1 0 0 0 0 7 16 1 6 0 0 0 9 7 1 0 0 0 0 16 17 1 0 0 0 0 7 8 1 0 0 0 0 17 18 1 0 0 0 0 9 10 1 0 0 0 0 17 19 2 0 0 0 0 3 6 1 0 0 0 0 18 20 2 0 0 0 0 5 4 2 0 0 0 0 18 21 1 0 0 0 0 5 22 1 0 0 0 0 1 2 1 0 0 0 0 1 23 1 1 0 0 0 1 4 1 0 0 0 0 1 24 1 0 0 0 0 6 24 1 0 0 0 0 10 11 1 0 0 0 0 3 25 1 0 0 0 0 11 12 1 0 0 0 0 23 26 1 0 0 0 0 12 13 1 0 0 0 0 6 27 1 1 0 0 0 9 13 1 0 0 0 0 10 28 1 1 0 0 0 2 3 2 0 0 0 0 9 29 1 6 0 0 0 M END > CHEBI:65835 > 2beta-methoxy-2-deethoxyphantomolin > A germacranolide that is the 2β-methoxy-2-deethoxy derivative of phantomolin. Isolated from Elephantopus mollis, it exhibits antineoplastic activity. > 3 > (3aR,4S,6E,8S,11S,11aS)-8-methoxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,11,11a-octahydro-8,11-epoxycyclodeca[b]furan-4-yl 2-methylprop-2-enoate > C20H24O6 > 360.40100 > 360.15729 > 0 > [H][C@@]12O[C@@](OC)(\C=C(C)\C[C@H](OC(=O)C(C)=C)[C@@]3([H])C(=C)C(=O)O[C@]13[H])C=C2C > InChI=1S/C20H24O6/c1-10(2)18(21)24-14-7-11(3)8-20(23-6)9-12(4)16(26-20)17-15(14)13(5)19(22)25-17/h8-9,14-17H,1,5,7H2,2-4,6H3/b11-8+/t14-,15+,16-,17-,20-/m0/s1 > CSIBMGLPBAXXSG-FWTBDAJASA-N > 9875998 > 18239317 $$$$