A detailed analysis of thermoacoustic combustion instability in a subscale rocket combustor at high pressure is reported in this paper using the high-fidelity large-eddy simulation (LES). Self-sustained longitudinal combustion instability is observed in the experiments for this combustor configuration. The computational setup follows the past experimental study of a rig called the Continuously Variable Resonance Combustor (CVRC). In this combustor, both stable combustion and unstable combustion dynamics have been observed by varying the oxidizer injector length. A combustor configuration with an oxidizer injector length of 12 cm is chosen for this study based on the experimental evidence of longitudinal combustion instability. An autonomous meshing using the modified cut-cell Cartesian grid generation approach, coupled with on-the-fly Adaptive Mesh Refinement (AMR) is employed in this study. Chemical reactions during turbulent combustion in this configuration are modeled by solving the species transport equations with a detailed chemistry solver using a kinetic mechanism with 21 species and 84 steps. Similar to the findings of the experiments, we observe a self-sustained combustion instability in the present study, which is characterized by a limit cycle behavior of the acoustic fluctuations. The spectral analysis of these acoustic fluctuations shows good agreement with experimental data for the frequency of the three dominant modes. We further analyze the features of time-averaged and instantaneous reacting flow to study the effects of combustion instability on the flame holding dynamics, vortex shedding, mixing, and combustion regime due to flame movement along the longitudinal direction of the combustor during a limit cycle. These phenomena are effectively captured through the integration of AMR with complex chemistry in the present study. A particular focus of the study is on understanding the role of minor species (OH, HO2, and CH2O) in the physical and state-space in sustaining the flame during the combustion instability. Additionally, the physical mechanisms responsible for the production and dissipation of enstrophy are examined to demonstrate that their contribution can create significant fluctuations in the reacting flow field, which can assist in sustaining the combustion instability.