Mrv1652304292208432D 14 14 0 0 0 0 999 V2000 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.4750 0.0000 O 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 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 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0086418 > NP-MRD > CC(C1CC(O)C(C)=CC1O)C(O)=O > InChI=1S/C10H16O4/c1-5-3-9(12)7(4-8(5)11)6(2)10(13)14/h3,6-9,11-12H,4H2,1-2H3,(H,13,14) > JZIKQULBAUNVHF-UHFFFAOYSA-N > C10H16O4 > 200.234 > 200.104858995 > 4 > 30 > 20.769028206660295 > 1 > 3 > 0 > 1 > 2-(2,5-dihydroxy-4-methylcyclohex-3-en-1-yl)propanoic acid > -0.15 > 0.11951547566666733 > -0.64 > 0 > 1 > -1 > 14.276529330902619 > 4.482958984381129 > -2.9741011712952083 > 77.76 > 51.3481 > 2 > 1 > 4.56e+01 g/l > 2-(2,5-dihydroxy-4-methylcyclohex-3-en-1-yl)propanoic acid > 0 > NP0086418 > 3,6-Dihydroxy-p-menth-1-en-8-oic acid $$$$