Mrv0541 02241219022D 13 13 0 0 0 0 999 V2000 -1.0721 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0721 0.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3296 0.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8146 -1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0721 -1.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 -1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3296 -1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 -1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8146 -1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3296 1.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 1.4434 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 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 10 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 2 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 M END > NP0049616 > NP-MRD > COC1=CC(C)=CC(OC)=C1OC > InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3 > KCIZTNZGSBSSRM-UHFFFAOYSA-N > C10H14O3 > 182.2164 > 182.094294314 > 3 > 19.728577036297366 > 1 > 0 > 0 > 1 > 1,2,3-trimethoxy-5-methylbenzene > 2.40 > 2.013653408333333 > -2.39 > 0 > 1 > 0 > -4.4419399112644955 > 27.69 > 50.4888 > 3 > 1 > 7.42e-01 g/l > 1,2,3-trimethoxy-5-methylbenzene > 1 > NP0049616 > 1,2,3-Trimethoxy-5-methylbenzene $$$$