6708618 CDK 0930221742 33 38 0 0 0 0 0 0 0 0999 V2000 4.7016 -1.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9245 -1.5641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7438 2.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0104 -1.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 2.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1771 -2.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5091 0.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4527 -0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7383 -0.2868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7383 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1671 -0.2868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0008 0.9793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4395 -1.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 0.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4527 0.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1671 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0008 -0.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 -0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0215 1.8741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9178 -0.7048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2746 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8816 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7184 1.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 1.8920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1803 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 2.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0651 0.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6274 -0.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3849 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9298 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 21 1 0 0 0 0 2 26 1 0 0 0 0 20 3 1 6 0 0 0 4 17 2 0 0 0 0 25 5 1 6 0 0 0 6 26 2 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 22 1 1 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 11 23 1 6 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 12 24 1 1 0 0 0 13 26 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 19 25 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 20 27 1 0 0 0 0 21 30 1 6 0 0 0 25 27 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 33 2 0 0 0 0 M END > CHEBI:193326 > 1,3-DIDEACETYL-7-DEACETOXY-7-OXOKHIVORIN > 2 > (1R,7S,8S,12S,13S,15R)-7-(uran-3-yl)-13,15-dihydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-5,19-dione > C26H34O7 > 458.551 > 458.23045 > 0 > O1C23[C@]4(C([C@@]5(C(CC4=O)C([C@H](O)C[C@@H]5O)(C)C)C)CC[C@]2([C@@H](OC(=O)C13)C=6C=COC6)C)C > InChI=1S/C26H34O7/c1-22(2)15-10-18(29)25(5)14(24(15,4)17(28)11-16(22)27)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)33-20/h7,9,12,14-17,19-20,27-28H,6,8,10-11H2,1-5H3/t14?,15?,16-,17+,19+,20?,23+,24-,25+,26?/m1/s1 > BBSPXZBAZKHYLF-HUBYRZTESA-N $$$$