Mrv1652309122216462D 24 24 0 0 1 0 999 V2000 1.2375 3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4125 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 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 1 1 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 3 14 1 6 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 1 0 0 0 M END > NP0329915 > NP-MRD > C[C@H]1O[C@@H](O[C@](C)(CC\C=C(/CO)C(O)=O)C=C)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C16H26O8/c1-4-16(3,7-5-6-10(8-17)14(21)22)24-15-13(20)12(19)11(18)9(2)23-15/h4,6,9,11-13,15,17-20H,1,5,7-8H2,2-3H3,(H,21,22)/b10-6+/t9-,11-,12+,13-,15+,16+/m1/s1 > BIUQGDGSXUQICF-UNVYQZOVSA-N > C16H26O8 > 346.376 > 346.162767797 > 8 > 50 > 35.182056113935005 > 1 > 5 > 0 > 1 > (2E,6R)-2-(hydroxymethyl)-6-methyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}octa-2,7-dienoic acid > -0.16551178400000072 > 0 > 1 > -1 > 12.22299942553843 > 4.1501365519874485 > -2.848288698849304 > 136.68 > 84.56810000000003 > 8 > 1 > (2E,6R)-2-(hydroxymethyl)-6-methyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}octa-2,7-dienoic acid > 0 > NP0329915 > (2e,6r)-2-(hydroxymethyl)-6-methyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}octa-2,7-dienoic acid $$$$