Chloroacetone
Everything that changed this flow. Back to the flow
d0fc3987-2784-419b-97fd-81cbc3d3ff5c
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 1 catalogue altLabel value(s): 'NSC 30673' (registry code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=78-95-5; cc_chebi_agreed_name='Chloroacetone'; object_uuid=fo-f42b3caab6de7571 |
| cas_match_labels | 1 | consensus_match | group_key=1-chloroacetone||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'78-95-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f42b3caab6de7571: {'78-95-5': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['78-95-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_47220']; candidate_pubchem_cids=[6571]; selected_pubchem_cids=[6571]; 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 |
|---|---|---|---|---|---|
| 512 | bootstrap_labels | prefLabel | — | [{"@value":"1-chloroacetone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 513 | bootstrap_labels | name | 1-chloroacetone | — | Purged legacy name field to enforce prefLabel usage |
| 514 | bootstrap_labels | synonyms | ["chloroacetone","1-chloroacetone","1-chloropropan-2-one","chloraceton","chloroacetone(stabilizedwithmgo)","monochloroa… | [] | Removed legacy synonyms field in favor of structured labels |
| 173,632 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 173,633 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 213,510 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,660 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,661 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,662 | enrich_references | references | [] | [{"@id":"beilstein:605369","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['78-95-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_47220']; candidate_pubchem_cids=[6571]; selected_pubchem_cids=[6571]; 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 |
| 248,455 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | rdkit_pre_consensus from 'CC(=O)CCl'; added: monoisotopic_mass |
| 254,452 | chebi_altlabels | altLabel | [] | [{"@value":"1-Chloro-2-ketopropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,114 | consensus_match | prefLabel | [{"@value":"1-chloroacetone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Chloroacetone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | cas=78-95-5; cc_chebi_agreed_name='Chloroacetone'; object_uuid=fo-f42b3caab6de7571 |
| 259,115 | consensus_match | altLabel | [{"@value":"1-Chloro-2-ketopropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1-Chloro-2-ketopropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | cas=78-95-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-f42b3caab6de7571 |
| 259,116 | consensus_match | altLabel | [{"@value":"1-Chloro-2-ketopropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1-Chloro-2-ketopropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | group_key=1-chloroacetone||dimension=Environmental > media=Air > strata=Unknown; cas=78-95-5; added Common Chemistry CAS names as altLabel: 2-Propanone, 1-chloro-, 2-Propanone, chloro-, Chloro-2-propanone, Methyl chloromethyl ketone, NSC 30673, α-Chloroacetone; object_uuid=fo-f42b3caab6de7571 |
| 259,117 | consensus_match | cas_match_labels | — | {"78-95-5":"exactMatch"} | group_key=1-chloroacetone||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'78-95-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f42b3caab6de7571: {'78-95-5': 'exactMatch'} |
| 273,595 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Chloroacetone' |
| 279,956 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | rdkit_post_consensus from 'CC(=O)CCl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,370 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Chloro-2-ketopropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1-Chloro-2-ketopropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Removed 1 catalogue altLabel value(s): 'NSC 30673' (registry code) |
| 367,860 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d0fc3987-2784-… | associations resolved on the elementary layer |
| 387,871 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | typed the way the ontology types it |
| 394,391 | 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/20260820T1416470405690000/512 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v0 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v1 |
| ef:activity/change/20260820T1416470405690000/513 | name | ef:agent/bootstrap_labels | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v1 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v2 |
| ef:activity/change/20260820T1416470405690000/514 | synonyms | ef:agent/bootstrap_labels | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v2 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v3 |
| ef:activity/change/20260820T1416470405690000/173632 | context | ef:agent/default_context_mapping | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v3 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v4 |
| ef:activity/change/20260820T1416470405690000/173633 | context_iri | ef:agent/default_context_mapping | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v4 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v5 |
| ef:activity/change/20260820T1416470405690000/213510 | unit_iri | ef:agent/unit_normalization | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v5 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v6 |
| ef:activity/change/20260820T1416470405690000/227660 | properties | ef:agent/enrich_references | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v6 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v7 |
| ef:activity/change/20260820T1416470405690000/227661 | skos_definition | ef:agent/enrich_references | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v7 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v8 |
| ef:activity/change/20260820T1416470405690000/227662 | references | ef:agent/enrich_references | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v8 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v9 |
| ef:activity/change/20260820T1416470405690000/248455 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v9 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v10 |
| ef:activity/change/20260820T1416470405690000/254452 | altLabel | ef:agent/chebi_altlabels | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v10 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v11 |
| ef:activity/change/20260820T1416470405690000/259114 | prefLabel | ef:agent/consensus_match | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v11 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v12 |
| ef:activity/change/20260820T1416470405690000/259115 | altLabel | ef:agent/consensus_match | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v12 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v13 |
| ef:activity/change/20260820T1416470405690000/259116 | altLabel | ef:agent/consensus_match | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v13 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v14 |
| ef:activity/change/20260820T1416470405690000/259117 | cas_match_labels | ef:agent/consensus_match | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v14 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v15 |
| ef:activity/change/20260820T1416470405690000/273595 | properties | ef:agent/opsin_iupac | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v15 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v16 |
| ef:activity/change/20260820T1416470405690000/279956 | properties | ef:agent/rdkit_post_consensus | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v16 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v17 |
| ef:activity/change/20260820T1416470405690000/287370 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v17 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v18 |
| ef:activity/change/20260820T1416470405690000/367860 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v18 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v19 |
| ef:activity/change/20260820T1416470405690000/387871 | properties | ef:agent/normalise_property_values | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v19 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v20 |
| ef:activity/change/20260820T1416470405690000/394391 | types | ef:agent/link_flows_to_their_substance | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v20 | ef:flow/d0fc3987-2784-419b-97fd-81cbc3d3ff5c/v21 |