1,4-diazabicyclo[2.2.2]octan-2-ylmethanol
Everything that changed this flow. Back to the flow
935dbdfb-d4ce-45f4-b921-13092a779a7c
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 1 | consensus_match | group_key=1,4-diazabicyclo[2.2.2]octan-2-ylmethanol||dimension=Environmental > media=Ground > geography=Agricultural; cas=76950-43-1; added Common Chemistry CAS names as altLabel: 1,4-Diazabicyclo[2.2.2]octan-2-yl methanol, 1,4-Diazabicyclo[2.2.2]octan-3-ylmethanol, 1,4-Diazabicyclo[2.2.2]octane-2-methanol, 2-(Hydroxymethyl)-1,4-diazabicyclo[2.2.2]octane, 2-(Hydroxymethyl)triethylenediamine, R-Zeta, R-Zeta HD; object_uuid=fo-f0e292e0d3937ea3 |
| cas_match_labels | 1 | consensus_match | group_key=1,4-diazabicyclo[2.2.2]octan-2-ylmethanol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'76950-43-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f0e292e0d3937ea3: {'76950-43-1': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['76950-43-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[11062492]; selected_pubchem_cids=[11062492]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 21,496 | bootstrap_labels | prefLabel | — | [{"@value":"1,4-diazabicyclo[2.2.2]octan-2-ylmethanol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Bootstrapped prefLabel from legacy name field |
| 21,497 | bootstrap_labels | name | 1,4-diazabicyclo[2.2.2]octan-2-ylmethanol | — | Purged legacy name field to enforce prefLabel usage |
| 21,498 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 137,408 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 137,409 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 220,234 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 246,807 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14N2O"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,808 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,809 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.178.150G","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['76950-43-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[11062492]; selected_pubchem_cids=[11062492]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 253,982 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14N2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14N2O"]… | rdkit_pre_consensus from 'C1CN2CCN1CC2CO'; added: molecular_mass, monoisotopic_mass |
| 258,662 | consensus_match | altLabel | [] | [{"@value":"1,4-Diazabicyclo[2.2.2]octan-2-yl methanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | group_key=1,4-diazabicyclo[2.2.2]octan-2-ylmethanol||dimension=Environmental > media=Ground > geography=Agricultural; cas=76950-43-1; added Common Chemistry CAS names as altLabel: 1,4-Diazabicyclo[2.2.2]octan-2-yl methanol, 1,4-Diazabicyclo[2.2.2]octan-3-ylmethanol, 1,4-Diazabicyclo[2.2.2]octane-2-methanol, 2-(Hydroxymethyl)-1,4-diazabicyclo[2.2.2]octane, 2-(Hydroxymethyl)triethylenediamine, R-Zeta, R-Zeta HD; object_uuid=fo-f0e292e0d3937ea3 |
| 258,663 | consensus_match | cas_match_labels | — | {"76950-43-1":"exactMatch"} | group_key=1,4-diazabicyclo[2.2.2]octan-2-ylmethanol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'76950-43-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f0e292e0d3937ea3: {'76950-43-1': 'exactMatch'} |
| 279,170 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14N2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14N2O"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,4-diazabicyclo[2.2.2]octan-2-ylmethanol' |
| 286,025 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14N2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14N2O"]… | rdkit_post_consensus from 'OCC1CN2CCN1CC2'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 349,697 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/935dbdfb-d4ce-… | associations resolved on the elementary layer |
| 393,554 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14N2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14N2O"]… | typed the way the ontology types it |
| 402,611 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260820T1812399309960000/21496 | prefLabel | ef:agent/bootstrap_labels | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v0 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v1 |
| ef:activity/change/20260820T1812399309960000/21497 | name | ef:agent/bootstrap_labels | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v1 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v2 |
| ef:activity/change/20260820T1812399309960000/21498 | synonyms | ef:agent/bootstrap_labels | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v2 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v3 |
| ef:activity/change/20260820T1812399309960000/137408 | context | ef:agent/default_context_mapping | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v3 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v4 |
| ef:activity/change/20260820T1812399309960000/137409 | context_iri | ef:agent/default_context_mapping | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v4 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v5 |
| ef:activity/change/20260820T1812399309960000/220234 | unit_iri | ef:agent/unit_normalization | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v5 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v6 |
| ef:activity/change/20260820T1812399309960000/246807 | properties | ef:agent/enrich_references | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v6 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v7 |
| ef:activity/change/20260820T1812399309960000/246808 | skos_definition | ef:agent/enrich_references | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v7 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v8 |
| ef:activity/change/20260820T1812399309960000/246809 | references | ef:agent/enrich_references | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v8 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v9 |
| ef:activity/change/20260820T1812399309960000/253982 | properties | ef:agent/rdkit_pre_consensus | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v9 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v10 |
| ef:activity/change/20260820T1812399309960000/258662 | altLabel | ef:agent/consensus_match | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v10 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v11 |
| ef:activity/change/20260820T1812399309960000/258663 | cas_match_labels | ef:agent/consensus_match | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v11 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v12 |
| ef:activity/change/20260820T1812399309960000/279170 | properties | ef:agent/opsin_iupac | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v12 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v13 |
| ef:activity/change/20260820T1812399309960000/286025 | properties | ef:agent/rdkit_post_consensus | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v13 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v14 |
| ef:activity/change/20260820T1812399309960000/349697 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v14 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v15 |
| ef:activity/change/20260820T1812399309960000/393554 | properties | ef:agent/normalise_property_values | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v15 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v16 |
| ef:activity/change/20260820T1812399309960000/402611 | types | ef:agent/link_flows_to_their_substance | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v16 | ef:flow/935dbdfb-d4ce-45f4-b921-13092a779a7c/v17 |