4-Chlorocatechol
Everything that changed this flow. Back to the flow
063212e9-d373-401e-8a50-6506e470fb90
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 | 3 | chebi_altlabels, consensus_match | group_key=4-chloropyrocatechol||dimension=Environmental > media=Water > water_body=Long-term; cas=2138-22-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenediol, 4-chloro-, 4-Chloro-1,2-dihydroxybenzene, Pyrocatechol, 4-chloro-; object_uuid=fo-2ace540bee1de3ef |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=2138-22-9; cc_chebi_agreed_name='4-Chlorocatechol'; object_uuid=fo-2ace540bee1de3ef |
| cas_match_labels | 1 | consensus_match | group_key=4-chloropyrocatechol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2138-22-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ace540bee1de3ef: {'2138-22-9': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2138-22-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27772']; candidate_pubchem_cids=[16496, 26596525]; selected_pubchem_cids=[16496]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,109 | bootstrap_labels | prefLabel | — | [{"@value":"4-chloropyrocatechol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 5,110 | bootstrap_labels | name | 4-chloropyrocatechol | — | Purged legacy name field to enforce prefLabel usage |
| 5,111 | bootstrap_labels | synonyms | ["1,2-Benzenediol, 4-chloro-","4-CHLORO-1,2-DIHYDROXYBENZENE","4-Chloro-1,2-benzenediol","4-Chlorocatechol","4-chlorobe… | [] | Removed legacy synonyms field in favor of structured labels |
| 30,438 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 30,439 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 215,046 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 232,091 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,092 | enrich_references | skos_definition | — | [{"@value":"A chlorocatechol that is catechol substituted by a chloro group at position 4.","@language":"en","provenanc… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,093 | enrich_references | references | [] | [{"@id":"gmelin:602391","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['2138-22-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27772']; candidate_pubchem_cids=[16496, 26596525]; selected_pubchem_cids=[16496]; 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 |
| 249,724 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2"]… | rdkit_pre_consensus from 'C1=CC(=C(C=C1Cl)O)O'; added: monoisotopic_mass |
| 255,030 | chebi_altlabels | altLabel | [] | [{"@value":"4-Chlorocatechol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,676 | consensus_match | prefLabel | [{"@value":"4-chloropyrocatechol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"4-Chlorocatechol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | cas=2138-22-9; cc_chebi_agreed_name='4-Chlorocatechol'; object_uuid=fo-2ace540bee1de3ef |
| 262,677 | consensus_match | altLabel | [{"@value":"4-Chlorocatechol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | [{"@value":"4-chloro-1,2-benzenediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | cas=2138-22-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-2ace540bee1de3ef |
| 262,678 | consensus_match | altLabel | [{"@value":"4-chloro-1,2-benzenediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"4-chloro-1,2-benzenediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=4-chloropyrocatechol||dimension=Environmental > media=Water > water_body=Long-term; cas=2138-22-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenediol, 4-chloro-, 4-Chloro-1,2-dihydroxybenzene, Pyrocatechol, 4-chloro-; object_uuid=fo-2ace540bee1de3ef |
| 262,679 | consensus_match | cas_match_labels | — | {"2138-22-9":"exactMatch"} | group_key=4-chloropyrocatechol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2138-22-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ace540bee1de3ef: {'2138-22-9': 'exactMatch'} |
| 274,864 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-Chlorocatechol' |
| 281,337 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2"]… | rdkit_post_consensus from 'Oc1ccc(Cl)cc1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 296,258 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/063212e9-d373-… | associations resolved on the elementary layer |
| 389,169 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2"]… | typed the way the ontology types it |
| 396,211 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1554374006150000/5109 | prefLabel | ef:agent/bootstrap_labels | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v0 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v1 |
| ef:activity/change/20260821T1554374006150000/5110 | name | ef:agent/bootstrap_labels | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v1 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v2 |
| ef:activity/change/20260821T1554374006150000/5111 | synonyms | ef:agent/bootstrap_labels | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v2 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v3 |
| ef:activity/change/20260821T1554374006150000/30438 | context | ef:agent/default_context_mapping | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v3 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v4 |
| ef:activity/change/20260821T1554374006150000/30439 | context_iri | ef:agent/default_context_mapping | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v4 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v5 |
| ef:activity/change/20260821T1554374006150000/215046 | unit_iri | ef:agent/unit_normalization | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v5 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v6 |
| ef:activity/change/20260821T1554374006150000/232091 | properties | ef:agent/enrich_references | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v6 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v7 |
| ef:activity/change/20260821T1554374006150000/232092 | skos_definition | ef:agent/enrich_references | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v7 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v8 |
| ef:activity/change/20260821T1554374006150000/232093 | references | ef:agent/enrich_references | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v8 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v9 |
| ef:activity/change/20260821T1554374006150000/249724 | properties | ef:agent/rdkit_pre_consensus | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v9 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v10 |
| ef:activity/change/20260821T1554374006150000/255030 | altLabel | ef:agent/chebi_altlabels | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v10 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v11 |
| ef:activity/change/20260821T1554374006150000/262676 | prefLabel | ef:agent/consensus_match | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v11 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v12 |
| ef:activity/change/20260821T1554374006150000/262677 | altLabel | ef:agent/consensus_match | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v12 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v13 |
| ef:activity/change/20260821T1554374006150000/262678 | altLabel | ef:agent/consensus_match | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v13 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v14 |
| ef:activity/change/20260821T1554374006150000/262679 | cas_match_labels | ef:agent/consensus_match | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v14 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v15 |
| ef:activity/change/20260821T1554374006150000/274864 | properties | ef:agent/opsin_iupac | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v15 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v16 |
| ef:activity/change/20260821T1554374006150000/281337 | properties | ef:agent/rdkit_post_consensus | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v16 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v17 |
| ef:activity/change/20260821T1554374006150000/296258 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v17 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v18 |
| ef:activity/change/20260821T1554374006150000/389169 | properties | ef:agent/normalise_property_values | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v18 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v19 |
| ef:activity/change/20260821T1554374006150000/396211 | types | ef:agent/link_flows_to_their_substance | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v19 | ef:flow/063212e9-d373-401e-8a50-6506e470fb90/v20 |