Marvin 10191211472D 33 35 0 0 0 0 999 V2000 7.1125 0.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5366 -0.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5366 0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8246 1.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8246 1.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2504 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8246 -0.5541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1103 -0.1498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5050 -0.7040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8451 -1.4511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6606 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6966 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1497 -1.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3414 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4112 -1.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3459 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1881 -1.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1410 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1327 -2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8308 -1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5762 -1.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2029 -1.7869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9655 -0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6794 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3945 -0.1499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0125 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2459 0.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 0.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2065 -2.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5676 0.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3527 0.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 16 1 0 0 0 0 12 18 2 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 2 1 0 0 0 0 2 3 1 0 0 0 0 17 19 1 0 0 0 0 3 4 2 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 4 5 1 0 0 0 0 21 22 2 0 0 0 0 9 10 1 0 0 0 0 22 23 1 0 0 0 0 10 11 1 0 0 0 0 7 24 2 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 8 12 1 6 0 0 0 24 26 1 0 0 0 0 1 9 1 0 0 0 0 25 27 1 0 0 0 0 10 13 1 1 0 0 0 27 28 1 0 0 0 0 23 28 1 0 0 0 0 1 6 1 6 0 0 0 2 29 1 1 0 0 0 13 14 1 0 0 0 0 9 30 1 1 0 0 0 1 4 1 0 0 0 0 23 31 1 6 0 0 0 14 15 1 0 0 0 0 2 7 1 0 0 0 0 27 32 1 6 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:66747 > phomacin B > A cytochalasin isolated from a fungus Phoma sp. that has been shown to possess potent inhibitory activity against HT-29 colonic adenocarcinoma cells. > 3 > (3Z,5S,7S,9E,10aS,13S,13aS,14S,16aR)-5-hydroxy-7-(hydroxymethyl)-9,12,13-trimethyl-14-(2-methylpropyl)-6,7,8,10a,13,13a,14,15-octahydro-2H-oxacyclododecino[2,3-d]isoindole-2,16(5H)-dione > C25H37NO5 > 431.56500 > 431.26717 > 0 > [H][C@]12C=C(C)[C@@H](C)[C@@]3([H])[C@H](CC(C)C)NC(=O)[C@@]13OC(=O)\C=C/[C@@H](O)C[C@@H](CO)C\C(C)=C\2 > InChI=1S/C25H37NO5/c1-14(2)8-21-23-17(5)16(4)11-19-10-15(3)9-18(13-27)12-20(28)6-7-22(29)31-25(19,23)24(30)26-21/h6-7,10-11,14,17-21,23,27-28H,8-9,12-13H2,1-5H3,(H,26,30)/b7-6-,15-10+/t17-,18+,19+,20-,21+,23+,25-/m1/s1 > IXONDWQZWWLZDF-ZCMVJGEESA-N > 11671521 $$$$