Mol:PR100987
From Metabolomics.JP
ACD/Labs04270909512D 13 14 0 0 0 0 0 0 0 0 1 V2000 7.9119 -7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9119 -8.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7445 -9.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5772 -8.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5772 -7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7445 -7.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5059 -8.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0295 -8.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4244 -7.4351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8492 -9.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2463 -10.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6639 -6.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5870 -6.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 S SKP 7 CAS_RN 67282-55-7 NAME 1-Methoxy-3-carbaldehyde ID PR100987 FORMULA C10H9NO2 EXACTMASS 175.063328537 AVERAGEMASS 175.184 SMILES O=Cc(c1)c(c2)c(ccc2)n(OC)1 M END