Mrv1652309121709242D 9 8 0 0 0 0 999 V2000 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > M2MDB001875 > M2MDB > CC(C)(O)C(O)C(O)=O > InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8) > JTEYKUFKXGDTEU-UHFFFAOYSA-N > C5H10O4 > 134.1305 > 134.057908808 > 4 > 19 > 12.4676669606666 > 1 > 3 > 0 > 0 > 2,3-dihydroxy-3-methylbutanoic acid > -0.83 > -0.8215877916666663 > 0.60 > 0 > 0 > -1 > 13.137895474801091 > 3.7976532415810835 > -3.2052703412545993 > 77.76 > 29.4405 > 2 > 1 > 5.29e+02 g/l > 2,3-dihydroxyisovaleric acid > 0 > ECMDB21480 > 2,3-Dihydroxyisovaleric acid $$$$