Mrv1652309122200522D 12 11 0 0 1 0 999 V2000 -1.3184 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 -3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1105 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3184 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -1.2375 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 0.8250 0.0000 0.0000 N 0 3 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 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 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 2 4 1 0 0 0 0 4 5 1 6 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 M CHG 1 9 1 M END > NP0320942 > NP-MRD > C[C@H](O)[C@H](O)CCC[N+](C)(C)C > InChI=1S/C9H22NO2/c1-8(11)9(12)6-5-7-10(2,3)4/h8-9,11-12H,5-7H2,1-4H3/q+1/t8-,9+/m0/s1 > LPZBCQRFTKPWLL-DTWKUNHWSA-N > C9H22NO2 > 176.279 > 176.164505373 > 2 > 34 > 21.394431117148773 > 1 > 2 > 1 > 0 > [(4R,5S)-4,5-dihydroxyhexyl]trimethylazanium > -4.2987066701384125 > 0 > 0 > 1 > 15.541438853487168 > 14.034033613247608 > -3.0104054056128966 > 40.46 > 62.0853 > 5 > 1 > [(4R,5S)-4,5-dihydroxyhexyl]trimethylazanium > 0 > NP0320942 > muscaridine $$$$