CDK 1018121543 42 45 0 0 0 0 0 0 0 0999 V2000 7.0583 -20.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6125 -19.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -19.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5417 -20.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5417 -21.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -19.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8292 -20.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -20.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -22.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -19.5875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6333 -20.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -22.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -19.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -20.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3458 -20.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -22.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -23.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -24.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5333 -18.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -21.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -23.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7667 -19.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -24.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -20.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -21.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -19.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2625 -19.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -23.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9208 -22.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5250 -20.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -22.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -18.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3625 -18.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -19.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -24.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -22.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -20.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -21.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -18.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -18.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -22.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -22.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 4 5 1 1 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 14 1 0 0 0 0 12 28 1 0 0 0 0 13 8 2 0 0 0 0 14 10 1 0 0 0 0 15 30 1 0 0 0 0 16 9 1 0 0 0 0 17 16 2 0 0 0 0 18 23 2 0 0 0 0 19 26 1 0 0 0 0 20 9 2 0 0 0 0 21 12 1 0 0 0 0 22 33 1 0 0 0 0 23 28 1 0 0 0 0 24 11 2 0 0 0 0 25 11 1 0 0 0 0 26 13 1 1 0 0 0 1 27 1 1 0 0 0 28 36 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 29 1 0 0 0 0 6 32 1 6 0 0 0 33 19 1 0 0 0 0 10 34 1 6 0 0 0 35 21 1 0 0 0 0 36 17 1 0 0 0 0 37 15 1 0 0 0 0 29 38 1 1 0 0 0 39 27 1 0 0 0 0 3 40 1 1 0 0 0 28 41 1 1 0 0 0 21 42 1 6 0 0 0 7 3 1 0 0 0 0 22 15 2 0 0 0 0 31 21 1 0 0 0 0 18 35 1 0 0 0 0 M END > CHEBI:69141 > 20-methoxy-fijianolide A > A natural product found in Cacospongia mycofijiensis. > 2 > C31H44O8 > 544.67630 > 544.30362 > 0 > [H][C@]12CC=C[C@@]([H])(C\C=C/C(=O)O[C@H]3C[C@@]([H])(O[C@]3(OC)\C=C\[C@@H]3CC(C)=CCO3)[C@@H](O)[C@@H](O)CC(=C)C[C@H](C)C1)O2 > InChI=1S/C31H44O8/c1-20-12-14-36-24(16-20)11-13-31(35-4)28-19-27(39-31)30(34)26(32)18-22(3)15-21(2)17-25-9-5-7-23(37-25)8-6-10-29(33)38-28/h5-7,10-13,21,23-28,30,32,34H,3,8-9,14-19H2,1-2,4H3/b10-6-,13-11+/t21-,23-,24+,25-,26-,27+,28-,30-,31+/m0/s1 > SZVPVYZZKFBESC-ROKXZQSJSA-N > 22129061 $$$$