Mrv1533004171512502D 14 13 0 0 0 0 999 V2000 1.9520 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 3.5724 0.0000 C 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 2 13 1 0 0 0 0 13 14 2 0 0 0 0 M END > NP0330402 > NP-MRD > CC(O)(CCC=C(CO)C(O)=O)C=C > InChI=1S/C10H16O4/c1-3-10(2,14)6-4-5-8(7-11)9(12)13/h3,5,11,14H,1,4,6-7H2,2H3,(H,12,13) > AFIOEQLZPSGSDD-UHFFFAOYSA-N > C10H16O4 > 200.234 > 200.104858995 > 4 > 30 > 21.21668103406831 > 1 > 3 > 0 > 1 > 6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid > 0.56 > 0.5584138949999997 > -1.49 > 0 > 0 > -1 > 15.23743072324309 > 4.636872941116815 > -1.2856675692668298 > 77.76 > 53.69850000000001 > 6 > 1 > 6.51e+00 g/l > 6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid > 0 > NP0330402 > 6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoic acid $$$$