Marvin 11141209462D 32 35 0 0 0 0 999 V2000 -2.6360 0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6372 -0.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9232 -0.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 0.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2146 0.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2143 -0.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5005 -0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 0.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -0.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2085 0.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8691 -0.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6793 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0342 0.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8514 1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6671 0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2216 1.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9619 2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1412 2.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3501 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0649 0.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3524 -0.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3541 -1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0695 -1.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0712 -2.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 -1.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9249 -1.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -1.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 -1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9082 -2.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0161 -1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 2.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 15 2 0 0 0 0 7 9 1 0 0 0 0 15 16 1 0 0 0 0 1 2 2 0 0 0 0 16 17 2 0 0 0 0 10 8 1 0 0 0 0 17 18 1 0 0 0 0 8 5 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 5 4 2 0 0 0 0 1 20 1 0 0 0 0 4 1 1 0 0 0 0 20 21 1 0 0 0 0 9 10 2 0 0 0 0 2 22 1 0 0 0 0 10 14 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 9 11 1 0 0 0 0 24 25 1 0 0 0 0 2 3 1 0 0 0 0 24 26 1 0 0 0 0 11 12 1 0 0 0 0 3 27 1 0 0 0 0 5 6 1 0 0 0 0 7 28 2 0 0 0 0 15 13 1 0 0 0 0 12 29 1 0 0 0 0 12 13 1 0 0 0 0 29 30 1 0 0 0 0 3 6 2 0 0 0 0 29 31 2 0 0 0 0 6 7 1 0 0 0 0 17 32 1 0 0 0 0 M END > CHEBI:65441 > artoindonesianin E1 > An extended flavonoid that is 6,7-dihydro-8H-chromeno[3,2-d][1]benzoxepin-8-one substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 11, a (1E)-3-methylbut-1-en-1-yl group at position 10 and a prop-1-en-2-yl at position 6. It is isolated from the woods of Artocarpus elasticus and shows moderate cytotoxicity against murine leukemia P-388 cells. > 3 > 3,9-dihydroxy-11-methoxy-10-[(1E)-3-methylbut-1-en-1-yl]-6-(prop-1-en-2-yl)-6,7-dihydro-8H-chromeno[3,2-d][1]benzoxepin-8-one > C26H26O6 > 434.48100 > 434.17294 > 0 > COc1cc2oc3-c4ccc(O)cc4OC(Cc3c(=O)c2c(O)c1\C=C\C(C)C)C(C)=C > InChI=1S/C26H26O6/c1-13(2)6-8-16-20(30-5)12-22-23(24(16)28)25(29)18-11-19(14(3)4)31-21-10-15(27)7-9-17(21)26(18)32-22/h6-10,12-13,19,27-28H,3,11H2,1-2,4-5H3/b8-6+ > KULOJVAPXYSRNQ-SOFGYWHQSA-N > 19280147 $$$$