Catechol
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-9752-0050c2490048
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'C.I. 76500' (registry code), 'NSC 1573' (registry code), 'Z 1' (grade code), 'Z 1 (inhibitor)' (grade code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=120-80-9; cc_chebi_agreed_name='Catechol'; object_uuid=fo-6f26bfa250db0b1f |
| cas_match_labels | 1 | consensus_match | group_key=1,2-benzenediol||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'120-80-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6f26bfa250db0b1f: {'120-80-9': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['120-80-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18135']; candidate_pubchem_cids=[289, 19104453]; selected_pubchem_cids=[289]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 22,670 | bootstrap_labels | prefLabel | — | [{"@value":"1,2-benzenediol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 22,671 | bootstrap_labels | name | 1,2-benzenediol | — | Purged legacy name field to enforce prefLabel usage |
| 22,672 | bootstrap_labels | synonyms | ["1,2-Dihydroxybenzene","1,2-dihydroxybenzene","2-hydroxyphenol","AB-131/40235236","AB1002105","AC1L18WM","AC1Q78GA","A… | [] | Removed legacy synonyms field in favor of structured labels |
| 92,750 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 92,751 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 220,522 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 247,582 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6O2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,583 | enrich_references | skos_definition | — | [{"@value":"A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other.","@langua… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,584 | enrich_references | references | [] | [{"@id":"gmelin:2936","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['120-80-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18135']; candidate_pubchem_cids=[289, 19104453]; selected_pubchem_cids=[289]; 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 |
| 254,203 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6O2"],"… | rdkit_pre_consensus from 'C1=CC=C(C(=C1)O)O'; added: monoisotopic_mass |
| 257,237 | chebi_altlabels | altLabel | [] | [{"@value":"1,2-Dihydroxybenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,324 | consensus_match | prefLabel | [{"@value":"1,2-benzenediol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Catechol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consen… | cas=120-80-9; cc_chebi_agreed_name='Catechol'; object_uuid=fo-6f26bfa250db0b1f |
| 258,325 | consensus_match | altLabel | [{"@value":"1,2-Dihydroxybenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"1,2-Dihydroxybenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | cas=120-80-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-6f26bfa250db0b1f |
| 258,326 | consensus_match | altLabel | [{"@value":"1,2-Dihydroxybenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"1,2-Dihydroxybenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=1,2-benzenediol||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=120-80-9; added Common Chemistry CAS names as altLabel: 1,2-Hydroxybenzene, 5,6-Dihydroxybenzene, <em>o</em>-Dihydroxybenzene, <em>o</em>-Dioxybenzene, <em>o</em>-Hydroquinone, <em>o</em>-Phenylenediol, C.I. 76500, C.I. Oxidation Base 26, Catechol (phenol), Durafur Developer C, Fouramine PCH, Fourrine 68, NSC 1573, Oxyphenic acid, Pelagol Grey C, Phthalhydroquinone, Phthalic alcohol, Pyrocatechine, Z 1, Z 1 (inhibitor); object_uuid=fo-6f26bfa250db0b1f |
| 258,327 | consensus_match | cas_match_labels | — | {"120-80-9":"exactMatch"} | group_key=1,2-benzenediol||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'120-80-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6f26bfa250db0b1f: {'120-80-9': 'exactMatch'} |
| 279,420 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6O2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Catechol' |
| 286,296 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6O2"],"… | rdkit_post_consensus from 'Oc1ccccc1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,650 | strip_catalogue_altlabels | altLabel | [{"@value":"1,2-Dihydroxybenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"1,2-Dihydroxybenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Removed 4 catalogue altLabel value(s): 'C.I. 76500' (registry code), 'NSC 1573' (registry code), 'Z 1' (grade code), 'Z 1 (inhibitor)' (grade code) |
| 327,381 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 393,813 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6O2"],"… | typed the way the ontology types it |
| 403,003 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260822T0600486828500000/22670 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/22671 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/22672 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/92750 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/92751 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/220522 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/247582 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/247583 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/247584 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/254203 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/257237 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/258324 | prefLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/258325 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/258326 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/258327 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/279420 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/286296 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/291650 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/327381 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/393813 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v20 |
| ef:activity/change/20260822T0600486828500000/403003 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v20 | ef:flow/4d9a8790-3ddd-11dd-9752-0050c2490048/v21 |