CDK 1030232200 28 32 0 0 0 0 0 0 0 0999 V2000 -0.5016 1.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1234 0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8008 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1633 -0.2447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1206 -1.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9354 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1084 -0.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 -0.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 1.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 0.2775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7432 -1.6196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8452 1.7065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8709 0.3816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4640 -0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0703 -2.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 -1.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8201 -2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1769 0.9158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8769 0.6130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1683 2.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 -0.7037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6755 -2.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 -1.3970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0830 1.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6954 0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1346 -1.4377 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 4 2 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 6 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 1 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 20 14 1 0 0 0 0 21 14 1 0 0 0 0 14 22 1 6 0 0 0 15 23 1 6 0 0 0 18 24 2 0 0 0 0 25 18 1 0 0 0 0 20 26 1 1 0 0 0 21 27 1 1 0 0 0 23 28 1 1 0 0 0 12 10 1 6 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 23 25 1 0 0 0 0 25 28 1 6 0 0 0 M END > CHEBI:207180 > Abybetaomicin U > 2 > (1S,2S,3R,4R,6S,8S,10S,15S,17S)-2,8-dihydroxy-1,8,10,17-tetramethyl-5,14,18-trioxapentacyclo[10.5.2.03,15.04,6.015,19]nonadec-12(19)-ene-7,11,13-trione > C20H24O8 > 392.404 > 392.14712 > 0 > O=C1C=2C(=O)O[C@]34C2O[C@]([C@@H](O)[C@@H]3[C@H]5O[C@@H]5C([C@](C[C@@H]1C)(O)C)=O)([C@@H](C)C4)C > InChI=1S/C20H24O8/c1-7-5-18(3,25)15(23)13-12(26-13)10-14(22)19(4)8(2)6-20(10)16(27-19)9(11(7)21)17(24)28-20/h7-8,10,12-14,22,25H,5-6H2,1-4H3/t7-,8-,10-,12+,13-,14-,18-,19-,20-/m0/s1 > DEDOORYCHRBMCA-SGXCGXGBSA-N $$$$