Chalcone
Everything that changed this flow. Back to the flow
d3b365bc-b400-4de9-854b-cd1a7733c550
By field
14 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, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 26612' (registry code), 'NSC 4523' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=chalcone||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'94-41-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-065dc0defa8887c0: {'94-41-7': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 202-330-2 from CAS 94-41-7 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['94-41-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27618']; candidate_pubchem_cids=[6940, 7189, 637760]; selected_pubchem_cids=[]; 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 |
|---|---|---|---|---|---|
| 17,090 | bootstrap_labels | prefLabel | — | [{"@value":"chalcone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Bootstrapped prefLabel from legacy name field |
| 17,091 | bootstrap_labels | name | chalcone | — | Purged legacy name field to enforce prefLabel usage |
| 17,092 | bootstrap_labels | synonyms | ["(2E)-1,3-Diphenyl-2-propen-1-one","(2E)-1,3-diphenylprop-2-en-1-one","(E)-1,3-Diphenyl-2-propen-1-one","(E)-1,3-diphe… | [] | Removed legacy synonyms field in favor of structured labels |
| 175,190 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 175,191 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 218,943 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,006 | normalize_name_case | prefLabel | [{"@value":"chalcone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | [{"@value":"Chalcone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,010 | ec_cross_check | ec_numbers | [] | ["202-330-2"] | Resolved from EC-inventory: 202-330-2 from CAS 94-41-7 |
| 243,220 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12O"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=0, commonchemistry_cas=['94-41-7']) |
| 243,221 | enrich_references | skos_definition | — | [{"@value":"A member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been repla… | Merged ChEBI/PubChem definitions into skos:definition |
| 243,222 | enrich_references | references | [] | [{"@id":"gmelin:29124","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"cons… | Added references with provenance; cas_numbers=['94-41-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27618']; candidate_pubchem_cids=[6940, 7189, 637760]; selected_pubchem_cids=[]; 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 |
| 252,935 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12O"],… | rdkit_pre_consensus from '[H]C(C(=O)c1ccccc1)=C([H])c1ccccc1'; added: monoisotopic_mass |
| 256,633 | chebi_altlabels | altLabel | [] | [{"@value":"(2E)-1,3-diphenyl-2-propen-1-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Added 17 ChEBI synonym(s) as altLabel from 2 linked ChEBI record(s) |
| 264,991 | consensus_match | altLabel | [{"@value":"(2E)-1,3-diphenyl-2-propen-1-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"(2E)-1,3-diphenyl-2-propen-1-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | group_key=chalcone||dimension=Environmental > media=Water > water_body=Long-term; cas=94-41-7; added Common Chemistry CAS names as altLabel: 1,3-Diphenyl-1-propen-3-one, 1,3-Diphenyl-2-propenone, 1,3-Diphenyl-3-oxo-1-propene, 1,3-Diphenylpropen-3-one, 1,3-Diphenylpropenone, 1-Benzoyl-2-phenylethene, 1-Benzoyl-2-phenylethylene, 1-Phenyl-2-benzoylethylene, 2-Benzalacetophenone, 2-Benzylideneacetophenone, 2-Propen-1-one, 1,3-diphenyl-, 3-Phenylacrylophenone, BAP, Benzalacetophenone, Benzylidenecetophenone, Chalkone, Cinnamophenone, MeSH ID: D002599, NSC 26612, NSC 4523, Phenyl 2-phenylethenyl ketone, Phenyl 2-phenylvinyl ketone, Phenyl styryl ketone, α-Benzylideneacetophenone, β-Benzoylstyrene, β-Phenylacrylophenone, ω-Benzylideneacetophenone; object_uuid=fo-065dc0defa8887c0 |
| 264,992 | consensus_match | cas_match_labels | — | {"94-41-7":"exactMatch"} | group_key=chalcone||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'94-41-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-065dc0defa8887c0: {'94-41-7': 'exactMatch'} |
| 278,138 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3-Diphenyl-2-propen-1-one' |
| 284,878 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12O"],… | rdkit_post_consensus from 'O=C(C=Cc1ccccc1)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,727 | strip_catalogue_altlabels | altLabel | [{"@value":"(2E)-1,3-diphenyl-2-propen-1-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"(2E)-1,3-diphenyl-2-propen-1-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Removed 2 catalogue altLabel value(s): 'NSC 26612' (registry code), 'NSC 4523' (registry code) |
| 368,619 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d3b365bc-b400-… | associations resolved on the elementary layer |
| 392,495 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12O"],… | typed the way the ontology types it |
| 400,997 | 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/20260822T0600486828500000/17090 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v0 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v1 |
| ef:activity/change/20260822T0600486828500000/17091 | name | ef:agent/bootstrap_labels | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v1 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v2 |
| ef:activity/change/20260822T0600486828500000/17092 | synonyms | ef:agent/bootstrap_labels | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v2 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v3 |
| ef:activity/change/20260822T0600486828500000/175190 | context | ef:agent/default_context_mapping | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v3 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v4 |
| ef:activity/change/20260822T0600486828500000/175191 | context_iri | ef:agent/default_context_mapping | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v4 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v5 |
| ef:activity/change/20260822T0600486828500000/218943 | unit_iri | ef:agent/unit_normalization | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v5 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v6 |
| ef:activity/change/20260822T0600486828500000/225006 | prefLabel | ef:agent/normalize_name_case | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v6 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v7 |
| ef:activity/change/20260822T0600486828500000/227010 | ec_numbers | ef:agent/ec_cross_check | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v7 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v8 |
| ef:activity/change/20260822T0600486828500000/243220 | properties | ef:agent/enrich_references | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v8 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v9 |
| ef:activity/change/20260822T0600486828500000/243221 | skos_definition | ef:agent/enrich_references | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v9 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v10 |
| ef:activity/change/20260822T0600486828500000/243222 | references | ef:agent/enrich_references | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v10 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v11 |
| ef:activity/change/20260822T0600486828500000/252935 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v11 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v12 |
| ef:activity/change/20260822T0600486828500000/256633 | altLabel | ef:agent/chebi_altlabels | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v12 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v13 |
| ef:activity/change/20260822T0600486828500000/264991 | altLabel | ef:agent/consensus_match | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v13 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v14 |
| ef:activity/change/20260822T0600486828500000/264992 | cas_match_labels | ef:agent/consensus_match | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v14 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v15 |
| ef:activity/change/20260822T0600486828500000/278138 | properties | ef:agent/opsin_iupac | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v15 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v16 |
| ef:activity/change/20260822T0600486828500000/284878 | properties | ef:agent/rdkit_post_consensus | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v16 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v17 |
| ef:activity/change/20260822T0600486828500000/290727 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v17 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v18 |
| ef:activity/change/20260822T0600486828500000/368619 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v18 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v19 |
| ef:activity/change/20260822T0600486828500000/392495 | properties | ef:agent/normalise_property_values | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v19 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v20 |
| ef:activity/change/20260822T0600486828500000/400997 | types | ef:agent/link_flows_to_their_substance | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v20 | ef:flow/d3b365bc-b400-4de9-854b-cd1a7733c550/v21 |