Marvin 10291211262D 36 40 0 0 0 0 999 V2000 10.1723 -15.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1723 -16.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8800 -16.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8800 -14.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6001 -15.2168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5957 -16.0457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3077 -16.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0256 -16.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3123 -14.8074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0258 -15.2222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0370 -13.5732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3140 -13.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7464 -13.9922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7369 -14.8165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4445 -15.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1632 -14.8359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4635 -13.5847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1726 -14.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7895 -13.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4637 -12.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6441 -12.7815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8843 -11.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8704 -15.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7463 -13.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0215 -14.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3092 -15.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7296 -15.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5886 -16.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4638 -17.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 -14.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0298 -12.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3113 -12.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3041 -11.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -12.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4586 -14.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1119 -17.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 3 6 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 5 4 1 0 0 0 0 20 22 2 0 0 0 0 5 6 1 0 0 0 0 16 23 1 1 0 0 0 13 24 1 1 0 0 0 9 12 1 0 0 0 0 10 25 1 1 0 0 0 10 14 1 0 0 0 0 9 26 1 6 0 0 0 13 11 1 0 0 0 0 14 27 1 6 0 0 0 11 12 1 0 0 0 0 6 28 1 6 0 0 0 13 14 1 0 0 0 0 3 29 1 0 0 0 0 1 2 1 0 0 0 0 5 30 1 1 0 0 0 1 4 1 0 0 0 0 11 31 1 1 0 0 0 2 3 1 0 0 0 0 31 32 1 0 0 0 0 5 9 1 0 0 0 0 32 33 2 0 0 0 0 13 17 1 0 0 0 0 32 34 1 0 0 0 0 14 15 1 0 0 0 0 17 35 1 6 0 0 0 15 16 1 0 0 0 0 3 36 1 0 0 0 0 M END > CHEBI:65366 > 12-O-acetyl-16-O-deacetyl-16-epi-scalarobutenolide > A scalarane sesterterpenoid isolated from the marine sponge Hyrtios erectus that exhibits antineoplastic activity. > 3 > CHEBI:66062 > Hyrtios sesterterpene 2 > (4S,5aS,5bR,7aS,11aS,11bR,13R,13aR,13bS)-4-hydroxy-5b,8,8,11a,13a-pentamethyl-2-oxo-2,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-b]furan-13-yl acetate > C27H40O5 > 444.60350 > 444.28757 > 0 > [H][C@]12OC(=O)C=C1[C@@H](O)C[C@@]1([H])[C@]3(C)CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])C[C@@H](OC(C)=O)[C@]21C > InChI=1S/C27H40O5/c1-15(28)31-21-14-19-25(4)10-7-9-24(2,3)18(25)8-11-26(19,5)20-13-17(29)16-12-22(30)32-23(16)27(20,21)6/h12,17-21,23,29H,7-11,13-14H2,1-6H3/t17-,18-,19+,20-,21+,23-,25-,26+,27+/m0/s1 > TUHLUXIESILORF-ZWRXBZFVSA-N > 9236584 > 8778242 $$$$