Mrv0541 10161312132D 29 31 0 0 0 0 999 V2000 2.7264 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4388 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4373 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1539 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1532 -0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8178 -1.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1376 -1.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9443 -1.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2655 -0.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7758 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9711 -0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6132 0.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8337 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6522 1.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4386 -1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4372 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7219 -2.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7243 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -1.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1493 -2.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0972 0.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0843 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5812 -1.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8968 -1.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7219 -0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4401 -2.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 0.5576 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 4 1 0 0 0 0 14 15 2 0 0 0 0 5 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 16 19 1 0 0 0 0 19 1 2 0 0 0 0 19 20 1 0 0 0 0 17 21 1 0 0 0 0 11 22 1 0 0 0 0 10 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 9 28 1 0 0 0 0 1 29 1 0 0 0 0 M END > CHEBI:68723 > mollicellin J > A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a chloro group at position 2, hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense it exhibits cytotoxic activity. > 3 > 2-chloro-3,7-dihydroxy-1,9-dimethyl-8-(3-methylbut-2-en-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde > C21H19ClO6 > 402.82500 > 402.08702 > 0 > CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)c(Cl)c(C)c3C(=O)Oc2c1C > InChI=1S/C21H19ClO6/c1-9(2)5-6-12-10(3)19-15(7-14(12)24)27-20-13(8-23)18(25)17(22)11(4)16(20)21(26)28-19/h5,7-8,24-25H,6H2,1-4H3 > NKSQSZYYPUIJDD-UHFFFAOYSA-N > 15754562 > 19663417 $$$$