CDK 1030232202 26 28 0 0 0 0 0 0 0 0999 V2000 4.2868 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -5.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4290 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 5 3 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 13 7 1 0 0 0 0 8 14 1 0 0 0 0 11 15 2 0 0 0 0 13 16 1 1 0 0 0 17 13 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 21 18 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 6 0 0 0 25 21 1 0 0 0 0 25 26 1 1 0 0 0 12 15 1 0 0 0 0 17 16 1 1 0 0 0 23 25 1 0 0 0 0 M END > CHEBI:219772 > Aigialomycin C > 2 > (2R,4R,7S,8S,9E,12S)-7,8,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraen-14-one > C19H24O7 > 364.394 > 364.15220 > 0 > O=C1O[C@H](CC=C[C@H](O)[C@@H](O)CC[C@@H]2[C@@H](C=3C1=C(O)C=C(OC)C3)O2)C > InChI=1S/C19H24O7/c1-10-4-3-5-13(20)14(21)6-7-16-18(26-16)12-8-11(24-2)9-15(22)17(12)19(23)25-10/h3,5,8-10,13-14,16,18,20-22H,4,6-7H2,1-2H3/b5-3+/t10-,13-,14-,16+,18+/m0/s1 > IDIVCUJKNPAADU-UDMGXPKMSA-N $$$$