Mrv1533004191518022D 14 15 0 0 0 0 999 V2000 0.0000 0.0000 0.0000 C 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 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 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 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 2.1434 -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 1.4289 -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 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 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 9 11 2 0 0 0 0 4 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 2 14 1 0 0 0 0 M END > NP0313780 > NP-MRD > CC1CC2=C(O)C=CC(O)=C2C(=O)O1 > InChI=1S/C10H10O4/c1-5-4-6-7(11)2-3-8(12)9(6)10(13)14-5/h2-3,5,11-12H,4H2,1H3 > OYNVCZYCJBELMQ-UHFFFAOYSA-N > C10H10O4 > 194.186 > 194.057908802 > 3 > 24 > 18.911428634325517 > 1 > 2 > 0 > 1 > 5,8-dihydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one > 1.55 > 2.2760556676666663 > -1.52 > 0 > 2 > 0 > 11.36816136889967 > 8.964969942197603 > -4.22368324710362 > 66.76 > 49.773500000000006 > 0 > 1 > 5.92e+00 g/l > 5,8-dihydroxy-3-methyl-3,4-dihydro-2-benzopyran-1-one > 0 > NP0313780 > 5,8-dihydroxy-3-methyl-3,4-dihydro-2-benzopyran-1-one $$$$