Chloroacetaldehyde
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-ad05-0050c2490048
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 | 2 | chebi_altlabels, consensus_match | group_key=chloroacetaldehyde||dimension=Environmental > media=Water > water_body=Ocean; cas=107-20-0; added Common Chemistry CAS names as altLabel: 2-Chloroacetaldehyde, Acetaldehyde, 2-chloro-, Acetaldehyde, chloro-, α-Chloroacetaldehyde; object_uuid=fo-c084c7c90513c58c |
| 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=chloroacetaldehyde||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-20-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c084c7c90513c58c: {'107-20-0': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['107-20-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27871']; candidate_pubchem_cids=[33, 243483]; selected_pubchem_cids=[33]; 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 |
|---|---|---|---|---|---|
| 8,207 | bootstrap_labels | prefLabel | — | [{"@value":"chloroacetaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 8,208 | bootstrap_labels | name | chloroacetaldehyde | — | Purged legacy name field to enforce prefLabel usage |
| 8,209 | bootstrap_labels | synonyms | ["2-Chloro-1-ethanal","2-Chloroethanal","2-chloroacetaldehyde","AC1L18BS","AC1Q3TZ5","AC1Q3TZ6","AKOS000118948","Acetal… | [] | Removed legacy synonyms field in favor of structured labels |
| 209,740 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 209,741 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 216,072 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,026 | normalize_name_case | prefLabel | [{"@value":"chloroacetaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Chloroacetaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,020 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,021 | enrich_references | skos_definition | — | [{"@value":"Acetaldehyde substituted at C-2 by chlorine.","@language":"en","provenance":{"prov:wasGeneratedBy":"enrich_… | Merged ChEBI/PubChem definitions into skos:definition |
| 235,022 | enrich_references | references | [] | [{"@id":"beilstein:1071226","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['107-20-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27871']; candidate_pubchem_cids=[33, 243483]; selected_pubchem_cids=[33]; 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 |
| 250,564 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | rdkit_pre_consensus from 'C(C=O)Cl'; added: monoisotopic_mass |
| 255,515 | chebi_altlabels | altLabel | [] | [{"@value":"2-Chloro-1-ethanal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,061 | consensus_match | altLabel | [{"@value":"2-Chloro-1-ethanal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | [{"@value":"2-Chloro-1-ethanal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | group_key=chloroacetaldehyde||dimension=Environmental > media=Water > water_body=Ocean; cas=107-20-0; added Common Chemistry CAS names as altLabel: 2-Chloroacetaldehyde, Acetaldehyde, 2-chloro-, Acetaldehyde, chloro-, α-Chloroacetaldehyde; object_uuid=fo-c084c7c90513c58c |
| 265,062 | consensus_match | cas_match_labels | — | {"107-20-0":"exactMatch"} | group_key=chloroacetaldehyde||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-20-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c084c7c90513c58c: {'107-20-0': 'exactMatch'} |
| 275,729 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Chloroacetaldehyde' |
| 282,285 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | rdkit_post_consensus from 'O=CCCl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 385,912 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 390,070 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | typed the way the ontology types it |
| 397,533 | 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/20260821T1554374006150000/8207 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/8208 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/8209 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/209740 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/209741 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/216072 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/223026 | prefLabel | ef:agent/normalize_name_case | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/235020 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/235021 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/235022 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/250564 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/255515 | altLabel | ef:agent/chebi_altlabels | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/265061 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/265062 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/275729 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/282285 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/385912 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/390070 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/397533 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-ad05-0050c2490048/v19 |