ISISHOST09090423312D 1 1.00000 0.00000 15060 29 32 0 1 0 999 V2000 6.2005 -10.4992 0.0000 C 0 0 1 0 0 0 0 0 0 6.6654 -10.7712 0.0000 O 0 0 0 0 0 0 0 0 0 6.6616 -10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 4.8056 -10.2230 0.0000 C 0 0 0 0 0 0 0 0 0 2.4849 -10.4853 0.0000 C 0 0 0 0 0 0 0 0 0 2.9448 -10.2182 0.0000 C 0 0 0 0 0 0 0 0 0 3.4122 -10.4890 0.0000 C 0 0 0 0 0 0 0 0 0 3.8759 -10.2220 0.0000 C 0 0 0 0 0 0 0 0 0 4.3433 -10.4927 0.0000 C 0 0 0 0 0 0 0 0 0 2.4833 -11.1085 0.0000 C 0 0 0 0 0 0 0 0 0 2.9448 -11.3755 0.0000 C 0 0 0 0 0 0 0 0 0 3.4085 -11.1085 0.0000 C 0 0 0 0 0 0 0 0 0 3.8759 -11.3793 0.0000 C 0 0 0 0 0 0 0 0 0 4.3396 -11.1122 0.0000 C 0 0 0 0 0 0 0 0 0 4.8032 -11.3829 0.0000 C 0 0 0 0 0 0 0 0 0 2.9411 -11.9134 0.0000 O 0 0 0 0 0 0 0 0 0 3.8722 -11.9171 0.0000 O 0 0 0 0 0 0 0 0 0 4.7995 -11.9208 0.0000 O 0 0 0 0 0 0 0 0 0 3.8765 -9.6877 0.0000 O 0 0 0 0 0 0 0 0 0 5.2669 -11.0306 0.0000 C 0 0 0 0 0 0 0 0 0 5.2706 -10.4927 0.0000 C 0 0 0 0 0 0 0 0 0 5.7393 -10.2270 0.0000 C 0 0 3 0 0 0 0 0 0 6.1968 -11.0370 0.0000 C 0 0 0 0 0 0 0 0 0 5.7318 -11.3027 0.0000 C 0 0 0 0 0 0 0 0 0 5.7282 -11.8406 0.0000 O 0 0 0 0 0 0 0 0 0 5.7430 -9.6891 0.0000 C 0 0 0 0 0 0 0 0 0 5.2781 -9.4170 0.0000 O 0 0 0 0 0 0 0 0 0 6.2079 -9.4234 0.0000 O 0 0 0 0 0 0 0 0 0 6.2116 -8.8856 0.0000 C 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 15 20 2 0 0 0 8 9 1 0 0 0 11 16 1 0 0 0 9 4 1 0 0 0 13 17 2 0 0 0 5 6 2 0 0 0 15 18 1 0 0 0 7 12 2 0 0 0 9 14 2 0 0 0 5 10 1 0 0 0 8 19 2 0 0 0 4 21 2 0 0 0 1 2 1 6 0 0 10 11 2 0 0 0 6 7 1 0 0 0 11 12 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 1 1 0 0 0 1 23 1 0 0 0 23 24 1 0 0 0 24 20 1 0 0 0 24 25 2 0 0 0 12 13 1 0 0 0 22 26 1 0 0 0 7 8 1 0 0 0 26 27 2 0 0 0 13 14 1 0 0 0 26 28 1 0 0 0 1 3 1 1 0 0 28 29 1 0 0 0 M END > CHEBI:31245 > Auraviketone > 2 > Auraviketone > C21H16O8 > 396.348 > 396.08452 > 0 > COC(=O)C1c2cc3C(=O)c4cccc(O)c4C(=O)c3c(O)c2C(=O)C[C@@]1(C)O > InChI=1S/C21H16O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,16,22,26,28H,7H2,1-2H3/t16?,21-/m1/s1 > NIJCZTKHKOATFT-CAWMZFRYSA-N > C12417 $$$$