Mrv1652309072208342D 14 15 0 0 1 0 999 V2000 0.0768 -2.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4358 -2.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 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 1 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 8 14 1 0 0 0 0 4 14 1 0 0 0 0 M END > NP0245480 > NP-MRD > C[C@H](O)[C@@H]1OC(=O)C2=C(O)C=CC=C12 > InChI=1S/C10H10O4/c1-5(11)9-6-3-2-4-7(12)8(6)10(13)14-9/h2-5,9,11-12H,1H3/t5-,9-/m0/s1 > OEVSVHJSZJTZDW-CDUCUWFYSA-N > C10H10O4 > 194.186 > 194.057908802 > 3 > 24 > 18.61994631738468 > 1 > 2 > 0 > 1 > (3R)-7-hydroxy-3-[(1S)-1-hydroxyethyl]-1,3-dihydro-2-benzofuran-1-one > 1.6606248423333332 > 0 > 2 > 0 > 13.615199481366933 > 9.561105946543245 > -3.115517194800061 > 66.76 > 49.00010000000001 > 1 > 1 > (3R)-7-hydroxy-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one > 0 > NP0245480 > (3r)-7-hydroxy-3-[(1s)-1-hydroxyethyl]-3h-2-benzofuran-1-one $$$$