Mrv1652306242117493D 24 25 0 0 0 0 999 V2000 1.5423 -2.1534 0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -0.8475 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7276 0.2116 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0974 0.0581 -0.3954 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1352 1.4374 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9165 2.5110 -0.9199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 1.5837 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8334 2.8282 -0.6849 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 0.5038 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 -0.7313 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5441 -1.6488 0.6067 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5496 -0.7718 0.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4509 0.3478 0.1734 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9082 1.4975 0.8089 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 -2.0745 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 -2.6846 -0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 -2.8254 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 -0.8483 -0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 2.3919 -1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2456 3.6009 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8426 -2.2394 -0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2698 -2.3095 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9436 0.2090 -0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6262 1.9539 0.3312 H 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 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 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 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 2 1 0 0 0 0 13 9 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 4 18 1 0 0 0 0 6 19 1 0 0 0 0 8 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 13 23 1 6 0 0 0 14 24 1 0 0 0 0 M END > NP0003673 > NP-MRD > [H]OC1=C(O[H])C(O[H])=C(C2=C1[C@]([H])(O[H])OC2([H])[H])C([H])([H])[H] > InChI=1S/C9H10O5/c1-3-4-2-14-9(13)5(4)7(11)8(12)6(3)10/h9-13H,2H2,1H3/t9-/m1/s1 > GSKYCPXSDLXGEW-UHFFFAOYSA-N > C9H10O5 > 198.174 > 198.052823422 > 5 > 24 > 18.734955752343787 > 1 > 4 > 0 > 1 > (1R)-4-methyl-1,3-dihydro-2-benzofuran-1,5,6,7-tetrol > -0.26 > 0.8387513363333332 > -1.14 > 0 > 2 > 0 > 11.345817373250746 > 8.838749588114919 > -4.377408681477938 > 90.15 > 48.19350000000001 > 0 > 1 > 1.45e+01 g/l > (1R)-4-methyl-1,3-dihydro-2-benzofuran-1,5,6,7-tetrol > 0 > NP0003673 > FR198248 $$$$