Optional_Optional_Specified per moiety according to the Hill system, i.e. first C, then H, then alphabetical, each moiety separated by a dot
OptionalextensionAdditional content defined by implementations
OptionalidUnique id for inter-element referencing
OptionalisotopeApplicable for single substances that contain a radionuclide or a non-natural isotopic ratio
OptionalmodifierExtensions that cannot be ignored even if unrecognized
OptionalmolecularMolecular formula
OptionalmolecularSpecified per moiety according to the Hill system, i.e. first C, then H, then alphabetical, each moiety separated by a dot
OptionalmolecularThe molecular weight or weight range (for proteins, polymers or nucleic acids)
OptionalopticalOptical activity type
OptionalrepresentationMolecular structural representation
OptionalsourceSupporting literature
OptionalstereochemistryStereochemistry type
Molecular formula