Chloral Hydrate
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-971b-0050c2490048
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, 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): 'Bi 3411' (grade code), 'NSC 3210' (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=chloralhydrate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'302-17-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-243f79ec8433354c: {'302-17-0': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['302-17-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28142']; candidate_pubchem_cids=[2707, 20528376]; selected_pubchem_cids=[2707]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 3,575 | bootstrap_labels | prefLabel | — | [{"@value":"chloral hydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 3,576 | bootstrap_labels | name | chloral hydrate | — | Purged legacy name field to enforce prefLabel usage |
| 3,577 | bootstrap_labels | synonyms | ["1,1,1-Trichloro-2,2-dihydroxyethane","1,1,1-Trichloro-2,2-ethanediol","1,1-Ethanediol, 2,2,2-trichloro-","2,2,2-Trich… | [] | Removed legacy synonyms field in favor of structured labels |
| 92,640 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 92,641 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 214,532 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,925 | normalize_name_case | prefLabel | [{"@value":"chloral hydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Chloral Hydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,630 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3Cl3O2"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,631 | enrich_references | skos_definition | — | [{"@value":"An organochlorine compound that is the hydrate of trichloroacetaldehyde.","@language":"en","provenance":{"p… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,632 | enrich_references | references | [] | [{"@id":"beilstein:1698497","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['302-17-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28142']; candidate_pubchem_cids=[2707, 20528376]; selected_pubchem_cids=[2707]; 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 |
| 249,311 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3Cl3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3Cl3O2"… | rdkit_pre_consensus from 'C(C(Cl)(Cl)Cl)(O)O'; added: monoisotopic_mass |
| 254,832 | chebi_altlabels | altLabel | [] | [{"@value":"1,1,1-trichloro-2,2-dihydroxyethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | Added 12 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,997 | consensus_match | altLabel | [{"@value":"1,1,1-trichloro-2,2-dihydroxyethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | [{"@value":"1,1,1-trichloro-2,2-dihydroxyethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | group_key=chloralhydrate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=302-17-0; added Common Chemistry CAS names as altLabel: 1,1-Ethanediol, 2,2,2-trichloro-, Bi 3411, Chloral, monohydrate, Chloraldurat, Dormal, Escre, Fagron, Hydral, Lorinal, MeSH ID: D002697, NSC 3210, Nycoton, Nycton, Phaldrone, Rectules, SK Chloral hydrate, Somnos, Trawotox, Trichloroacetaldehyde monohydrate; object_uuid=fo-243f79ec8433354c |
| 264,998 | consensus_match | cas_match_labels | — | {"302-17-0":"exactMatch"} | group_key=chloralhydrate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'302-17-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-243f79ec8433354c: {'302-17-0': 'exactMatch'} |
| 280,879 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3Cl3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3Cl3O2"… | rdkit_post_consensus from 'C(C(Cl)(Cl)Cl)(O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,991 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,1-trichloro-2,2-dihydroxyethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | [{"@value":"1,1,1-trichloro-2,2-dihydroxyethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | Removed 2 catalogue altLabel value(s): 'Bi 3411' (grade code), 'NSC 3210' (registry code) |
| 327,326 | 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 |
| 388,737 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3Cl3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3Cl3O2"… | typed the way the ontology types it |
| 395,590 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260822T0600486828500000/3575 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/3576 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/3577 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/92640 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/92641 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/214532 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/221925 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/230630 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/230631 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/230632 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/249311 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/254832 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/264997 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/264998 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/280879 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/287991 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/327326 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/388737 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/395590 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-971b-0050c2490048/v19 |