Mrv1652309032216402D 21 23 0 0 1 0 999 V2000 4.9176 5.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7195 4.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3140 3.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1158 3.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7103 2.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5121 1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7195 1.4002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5213 0.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.9722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3232 2.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7287 3.3451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9268 4.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 3.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7379 2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3324 1.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 2.0867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7471 1.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3508 2.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 3.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3416 3.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5397 4.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 1 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 9 15 1 0 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 0 0 0 0 13 20 1 0 0 0 0 20 21 2 0 0 0 0 M END > NP0176928 > NP-MRD > CC1CCCC[C@H](O)[C@@H]2C[C@@H](O1)C1=C(O2)[C@H](O)CCC1=O > InChI=1S/C16H24O5/c1-9-4-2-3-5-10(17)13-8-14(20-9)15-11(18)6-7-12(19)16(15)21-13/h9-10,12-14,17,19H,2-8H2,1H3/t9?,10-,12+,13-,14+/m0/s1 > PIEPQYGMNJGUKR-NCDGTBIOSA-N > C16H24O5 > 296.363 > 296.162373873 > 5 > 45 > 31.517551882173723 > 1 > 2 > 0 > 1 > (1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.0^{2,7}]heptadec-2(7)-en-3-one > 0.5442368289999991 > 0 > 3 > 0 > 14.345406034968878 > 13.682874056359857 > -3.158387195305859 > 75.99000000000001 > 77.7438 > 0 > 1 > (1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.0^{2,7}]heptadec-2(7)-en-3-one > 0 > NP0176928 > (1r,6r,9s,10s)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.0²,⁷]heptadec-2(7)-en-3-one $$$$