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Compound

Properties

Name Type Description Notes
compound_id str uid of this compound Entity [optional]
name str Some (optional) human-readable name [optional]
rt_start_seconds float The merged/consensus retention time start (earliest rt) of this compound [optional]
rt_end_seconds float The merged/consensus retention time end (latest rt) of this compound [optional]
neutral_mass float Neutral mass of this compound. Ion masse minus the mass of the assigned adduct of each feature of this compound should result in the same neutral mass [optional]
features List[AlignedFeature] List of aligned features (adducts) that belong to the same (this) compound [optional]
consensus_annotations ConsensusAnnotationsCSI [optional]
consensus_annotations_de_novo ConsensusAnnotationsDeNovo [optional]
custom_annotations ConsensusAnnotationsCSI [optional]
tags Dict[str, Tag] Key: tagName, value: tag [optional]

Example

from PySirius.models.compound import Compound

# TODO update the JSON string below
json = "{}"
# create an instance of Compound from a JSON string
compound_instance = Compound.from_json(json)
# print the JSON string representation of the object
print(Compound.to_json())

# convert the object into a dict
compound_dict = compound_instance.to_dict()
# create an instance of Compound from a dict
compound_from_dict = Compound.from_dict(compound_dict)

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