Marvin 07171317142D 34 38 0 0 0 0 999 V2000 -1.1500 0.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3417 -0.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3708 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -0.1833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6167 -0.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3542 0.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9167 -0.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1875 0.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0083 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0417 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 1.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0875 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8542 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 1.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5875 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7667 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7875 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 1.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1500 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5125 -1.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -0.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 0.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -1.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 0.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 11 8 1 1 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 14 1 0 0 0 0 12 3 2 0 0 0 0 13 1 1 0 0 0 0 14 6 1 0 0 0 0 15 13 1 0 0 0 0 16 4 1 0 0 0 0 17 6 1 0 0 0 0 18 7 1 0 0 0 0 19 10 2 0 0 0 0 20 12 1 0 0 0 0 21 18 1 0 0 0 0 22 9 2 0 0 0 0 23 26 1 0 0 0 0 24 11 1 0 0 0 0 25 20 2 0 0 0 0 26 24 1 0 0 0 0 1 27 1 1 0 0 0 2 28 1 1 0 0 0 14 29 1 6 0 0 0 23 30 1 6 0 0 0 5 31 1 6 0 0 0 7 32 1 1 0 0 0 4 33 1 6 0 0 0 6 34 1 6 0 0 0 15 5 1 0 0 0 0 17 16 1 0 0 0 0 21 3 1 0 0 0 0 23 9 1 0 0 0 0 20 19 1 0 0 0 0 M END > CHEBI:67568 > minabeolide 4 > A withanolide that is (22R,25S)-22,26-epoxycholesta-1,4-dien-26-one substituted by an oxo group at position 3. Isolated from Paraminabea acronocephala,it exhibits anti-inflammatory activity. > 3 > minabeolide-4; 28-nor-3-oxo-witha-1,4-dienolide > (22R,25S)-22,26-epoxycholesta-1,4-diene-3,26-dione > C27H38O3 > 410.58880 > 410.28210 > 0 > [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H]1CC[C@H](C)C(=O)O1 > InChI=1S/C27H38O3/c1-16-5-10-24(30-25(16)29)17(2)21-8-9-22-20-7-6-18-15-19(28)11-13-26(18,3)23(20)12-14-27(21,22)4/h11,13,15-17,20-24H,5-10,12,14H2,1-4H3/t16-,17-,20-,21+,22-,23-,24+,26-,27+/m0/s1 > OIROZVSBVQAEPT-HDSKOFFVSA-N > 21534299 > 21425785 $$$$