Mrv1652309032204032D 14 15 0 0 1 0 999 V2000 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 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 1.4289 0.0000 0.0000 C 0 0 0 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 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 2.1434 -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 1 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 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 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 1 0 0 0 M END > NP0166639 > NP-MRD > C[C@H]1OC(=O)C2=C(O)C=CC=C2[C@H]1O > InChI=1S/C10H10O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2-5,9,11-12H,1H3/t5-,9+/m1/s1 > STSOHAOGZMLWFR-ANLVUFKYSA-N > C10H10O4 > 194.186 > 194.057908802 > 3 > 24 > 18.684476883490962 > 1 > 2 > 0 > 1 > (3R,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one > 0.92 > 1.6606248423333332 > -0.71 > 0 > 2 > 0 > 13.313602969278904 > 9.567712452623942 > -3.605892516568062 > 66.76 > 49.0001 > 0 > 1 > 3.82e+01 g/l > (3R,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-2-benzopyran-1-one > 0 > NP0166639 > cis-4-hydroxymellein $$$$