Marvin 01241316282D 34 37 0 0 0 0 999 V2000 12.1995 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9115 1.7083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3336 0.8773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3371 1.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6238 2.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6168 0.4701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9117 0.8813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1986 0.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5482 -0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3603 -0.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4875 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4875 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7770 2.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0619 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0619 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7770 0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1299 -1.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3049 -1.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8866 -1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0616 -1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6433 -2.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0457 0.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9042 0.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3292 0.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7781 2.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3470 0.4716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6304 1.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6369 2.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2016 1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4839 1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 2.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 2 1 1 0 0 0 0 9 17 1 0 0 0 0 2 7 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 12 1 2 0 0 0 0 19 20 2 0 0 0 0 11 8 1 0 0 0 0 20 21 1 0 0 0 0 8 9 2 0 0 0 0 3 22 1 6 0 0 0 9 10 1 0 0 0 0 7 23 1 6 0 0 0 10 6 1 0 0 0 0 6 24 1 1 0 0 0 11 12 1 0 0 0 0 13 25 2 0 0 0 0 8 7 1 0 0 0 0 15 26 2 0 0 0 0 2 5 1 0 0 0 0 14 27 1 0 0 0 0 6 3 1 0 0 0 0 14 28 1 0 0 0 0 3 4 1 0 0 0 0 28 29 1 0 0 0 0 4 5 1 0 0 0 0 29 30 1 0 0 0 0 6 7 1 0 0 0 0 29 31 2 0 0 0 0 11 16 2 0 0 0 0 30 32 1 0 0 0 0 12 13 1 0 0 0 0 32 33 1 0 0 0 0 13 14 1 0 0 0 0 32 34 1 0 0 0 0 M END > CHEBI:65900 > fleephilone > A organic heterotetracyclic compound isolated from the fermentation broth of Trichoderma harzianum and exhibits anti-HIV activity. > 3 > (2aR,3S,10cR)-3-hydroxy-8-methyl-7,9-dioxo-1-[(1E,3E)-penta-1,3-dien-1-yl]-2a,4,5,8,9,10c-hexahydro-3H,7H-2-oxa-5a-azaaceanthrylen-8-yl 3-hydroxybutanoate > C24H27NO7 > 441.47370 > 441.17875 > 0 > [H][C@]12OC(\C=C\C=C\C)=C3C4=CC(=O)C(C)(OC(=O)CC(C)O)C(=O)C4=CN(CC[C@@H]1O)[C@@]23[H] > InChI=1S/C24H27NO7/c1-4-5-6-7-17-20-14-11-18(28)24(3,32-19(29)10-13(2)26)23(30)15(14)12-25-9-8-16(27)22(31-17)21(20)25/h4-7,11-13,16,21-22,26-27H,8-10H2,1-3H3/b5-4+,7-6+/t13?,16-,21+,22-,24?/m0/s1 > UOPRBHLVKJBASE-XVSBCJMYSA-N > 183239-76-1 > 183239-76-1 > 8968392 $$$$