Benzonitrile, 3,5-dimethyl-4-hydroxy-
Everything that changed this flow. Back to the flow
de277174-dc84-4aa4-bfea-180c4992f96e
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=benzonitrile,3,5-dimethyl-4-hydroxy-||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=4198-90-7; added Common Chemistry CAS names as altLabel: 2,6-Dimethyl-4-cyanophenol, 3,5-Dimethyl-4-hydroxybenzonitrile, 4-Cyano-2,6-dimethylphenol, 4-Hydroxy-3,5-dimethylbenzonitrile, Benzonitrile, 4-hydroxy-3,5-dimethyl-; object_uuid=fo-7262ee260ba25938 |
| cas_match_labels | 1 | consensus_match | group_key=benzonitrile,3,5-dimethyl-4-hydroxy-||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['pubchem']; cas_sources={'4198-90-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7262ee260ba25938: {'4198-90-7': '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 air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['4198-90-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[20176, 3086683]; selected_pubchem_cids=[20176]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,774 | bootstrap_labels | prefLabel | — | [{"@value":"benzonitrile, 3,5-dimethyl-4-hydroxy-","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 5,775 | bootstrap_labels | name | benzonitrile, 3,5-dimethyl-4-hydroxy- | — | Purged legacy name field to enforce prefLabel usage |
| 5,776 | bootstrap_labels | synonyms | ["organic","t002251"] | [] | Removed legacy synonyms field in favor of structured labels |
| 182,160 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 182,161 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 215,267 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,427 | normalize_name_case | prefLabel | [{"@value":"benzonitrile, 3,5-dimethyl-4-hydroxy-","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | [{"@value":"Benzonitrile, 3,5-dimethyl-4-hydroxy-","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,736 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,737 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,738 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J87.866I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['4198-90-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[20176, 3086683]; selected_pubchem_cids=[20176]; 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 |
| 249,916 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO"],"… | rdkit_pre_consensus from 'CC1=CC(=CC(=C1O)C)C#N'; added: molecular_mass, monoisotopic_mass |
| 264,166 | consensus_match | altLabel | [] | [{"@value":"2,6-Dimethyl-4-cyanophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | group_key=benzonitrile,3,5-dimethyl-4-hydroxy-||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=4198-90-7; added Common Chemistry CAS names as altLabel: 2,6-Dimethyl-4-cyanophenol, 3,5-Dimethyl-4-hydroxybenzonitrile, 4-Cyano-2,6-dimethylphenol, 4-Hydroxy-3,5-dimethylbenzonitrile, Benzonitrile, 4-hydroxy-3,5-dimethyl-; object_uuid=fo-7262ee260ba25938 |
| 264,167 | consensus_match | cas_match_labels | — | {"4198-90-7":"exactMatch"} | group_key=benzonitrile,3,5-dimethyl-4-hydroxy-||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['pubchem']; cas_sources={'4198-90-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7262ee260ba25938: {'4198-90-7': 'exactMatch'} |
| 275,050 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Benzonitrile, 3,5-dimethyl-4-hydroxy-' |
| 281,543 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO"],"… | rdkit_post_consensus from 'Cc1cc(C#N)cc(C)c1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 372,106 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/de277174-dc84-… | associations resolved on the elementary layer |
| 389,360 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO"],"… | typed the way the ontology types it |
| 396,473 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1554374006150000/5774 | prefLabel | ef:agent/bootstrap_labels | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v0 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v1 |
| ef:activity/change/20260821T1554374006150000/5775 | name | ef:agent/bootstrap_labels | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v1 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v2 |
| ef:activity/change/20260821T1554374006150000/5776 | synonyms | ef:agent/bootstrap_labels | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v2 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v3 |
| ef:activity/change/20260821T1554374006150000/182160 | context | ef:agent/default_context_mapping | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v3 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v4 |
| ef:activity/change/20260821T1554374006150000/182161 | context_iri | ef:agent/default_context_mapping | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v4 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v5 |
| ef:activity/change/20260821T1554374006150000/215267 | unit_iri | ef:agent/unit_normalization | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v5 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v6 |
| ef:activity/change/20260821T1554374006150000/222427 | prefLabel | ef:agent/normalize_name_case | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v6 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v7 |
| ef:activity/change/20260821T1554374006150000/232736 | properties | ef:agent/enrich_references | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v7 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v8 |
| ef:activity/change/20260821T1554374006150000/232737 | skos_definition | ef:agent/enrich_references | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v8 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v9 |
| ef:activity/change/20260821T1554374006150000/232738 | references | ef:agent/enrich_references | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v9 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v10 |
| ef:activity/change/20260821T1554374006150000/249916 | properties | ef:agent/rdkit_pre_consensus | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v10 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v11 |
| ef:activity/change/20260821T1554374006150000/264166 | altLabel | ef:agent/consensus_match | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v11 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v12 |
| ef:activity/change/20260821T1554374006150000/264167 | cas_match_labels | ef:agent/consensus_match | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v12 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v13 |
| ef:activity/change/20260821T1554374006150000/275050 | properties | ef:agent/opsin_iupac | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v13 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v14 |
| ef:activity/change/20260821T1554374006150000/281543 | properties | ef:agent/rdkit_post_consensus | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v14 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v15 |
| ef:activity/change/20260821T1554374006150000/372106 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v15 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v16 |
| ef:activity/change/20260821T1554374006150000/389360 | properties | ef:agent/normalise_property_values | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v16 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v17 |
| ef:activity/change/20260821T1554374006150000/396473 | types | ef:agent/link_flows_to_their_substance | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v17 | ef:flow/de277174-dc84-4aa4-bfea-180c4992f96e/v18 |