Mrv1652309062209112D 13 12 0 0 1 0 999 V2000 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -0.7145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7125 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 1 0 0 0 M END > NP0227761 > NP-MRD > CO[C@@H](C=O)[C@H](OC)[C@H](O)[C@@H](C)O > InChI=1S/C8H16O5/c1-5(10)7(11)8(13-3)6(4-9)12-2/h4-8,10-11H,1-3H3/t5-,6+,7-,8+/m1/s1 > QGQQTJFIYNGSEU-CWKFCGSDSA-N > C8H16O5 > 192.211 > 192.099773615 > 5 > 29 > 19.18513895183098 > 1 > 2 > 0 > 0 > (2R,3R,4R,5R)-4,5-dihydroxy-2,3-dimethoxyhexanal > -1.2351975890000002 > 0 > 0 > 0 > 15.009034278644407 > 13.104572144699276 > -3.049259414255639 > 75.99000000000001 > 45.3043 > 6 > 1 > mycinose > 0 > NP0227761 > mycinose $$$$