Mrv1652309082208422D 28 30 0 0 1 0 999 V2000 5.4278 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1729 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6578 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4828 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1729 1.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3883 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9034 1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1187 1.7474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1187 2.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8332 2.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3341 1.4924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8492 2.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8492 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8492 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0646 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3341 -0.6674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8492 -1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1187 -0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 -0.6674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3883 -1.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0527 -2.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5376 -2.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2322 -2.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 -1.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8967 -2.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3816 -3.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3883 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6041 0.4125 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 19 27 1 0 0 0 0 27 2 1 6 0 0 0 6 27 1 0 0 0 0 16 28 1 0 0 0 0 11 28 1 0 0 0 0 M END > NP0263497 > NP-MRD > C\C=C(\C)C(=O)O[C@@H]1C[C@]2(C)O[C@@](O)(C[C@@H]2O)[C@H](CO)C[C@H]2OC(=O)C(=C)[C@H]12 > InChI=1S/C20H28O8/c1-5-10(2)17(23)27-14-7-19(4)15(22)8-20(25,28-19)12(9-21)6-13-16(14)11(3)18(24)26-13/h5,12-16,21-22,25H,3,6-9H2,1-2,4H3/b10-5-/t12-,13+,14+,15-,16-,19-,20-/m0/s1 > SNUZCOSRHAIVKC-OEWWJEBQSA-N > C20H28O8 > 396.436 > 396.178417862 > 6 > 56 > 39.98474630127741 > 1 > 3 > 0 > 1 > (1S,2S,4R,8S,9R,11S,12S)-1,12-dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0^{4,8}]tetradecan-9-yl (2Z)-2-methylbut-2-enoate > 1.309188927 > 0 > 3 > 0 > 13.921957127976913 > 11.66907037319674 > -2.6685916263733347 > 122.52000000000002 > 97.59349999999999 > 4 > 1 > (1S,2S,4R,8S,9R,11S,12S)-1,12-dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0^{4,8}]tetradecan-9-yl (2Z)-2-methylbut-2-enoate > 0 > NP0263497 > (1s,2s,4r,8s,9r,11s,12s)-1,12-dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-9-yl (2z)-2-methylbut-2-enoate $$$$