Methyl Chloroacetate
Everything that changed this flow. Back to the flow
0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea
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 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 2635' (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=methylchloroacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'96-34-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b03d6212880120b5: {'96-34-4': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['96-34-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[7295, 272056, 14535399, 18652664]; selected_pubchem_cids=[7295]; 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 |
|---|---|---|---|---|---|
| 11,041 | bootstrap_labels | prefLabel | — | [{"@value":"methyl chloroacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 11,042 | bootstrap_labels | name | methyl chloroacetate | — | Purged legacy name field to enforce prefLabel usage |
| 11,043 | bootstrap_labels | synonyms | ["AB1002415","AC1L1OG4","AKOS000119621","Acetic acid, 2-chloro-, methyl ester","Acetic acid, chloro-, methyl ester","Ch… | [] | Removed legacy synonyms field in favor of structured labels |
| 43,796 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 43,797 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 217,000 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,669 | normalize_name_case | prefLabel | [{"@value":"methyl chloroacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Methyl Chloroacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,689 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,690 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,691 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.968C","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['96-34-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[7295, 272056, 14535399, 18652664]; selected_pubchem_cids=[7295]; 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 |
| 251,335 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | rdkit_pre_consensus from 'COC(=O)CCl'; added: molecular_mass, monoisotopic_mass |
| 268,820 | consensus_match | altLabel | [] | [{"@value":"2-Chloroacetic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | group_key=methylchloroacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=96-34-4; added Common Chemistry CAS names as altLabel: 2-Chloroacetic acid methyl ester, Acetic acid, 2-chloro-, methyl ester, Acetic acid, chloro-, methyl ester, Chloroacetic acid methyl ester, Methyl 2-chloroacetate, Methyl monochloracetate, Methyl monochloroacetate, Methyl α-chloroacetate, Monochloroacetic acid methyl ester, NSC 2635; object_uuid=fo-b03d6212880120b5 |
| 268,821 | consensus_match | cas_match_labels | — | {"96-34-4":"exactMatch"} | group_key=methylchloroacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'96-34-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b03d6212880120b5: {'96-34-4': 'exactMatch'} |
| 276,517 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl Chloroacetate' |
| 283,129 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | rdkit_post_consensus from 'COC(=O)CCl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,546 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Chloroacetic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | [{"@value":"2-Chloroacetic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | Removed 1 catalogue altLabel value(s): 'NSC 2635' (registry code) |
| 302,924 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0c6a93ac-97d7-… | associations resolved on the elementary layer |
| 390,874 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | typed the way the ontology types it |
| 398,671 | 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/20260822T0600486828500000/11041 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v0 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v1 |
| ef:activity/change/20260822T0600486828500000/11042 | name | ef:agent/bootstrap_labels | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v1 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v2 |
| ef:activity/change/20260822T0600486828500000/11043 | synonyms | ef:agent/bootstrap_labels | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v2 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v3 |
| ef:activity/change/20260822T0600486828500000/43796 | context | ef:agent/default_context_mapping | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v3 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v4 |
| ef:activity/change/20260822T0600486828500000/43797 | context_iri | ef:agent/default_context_mapping | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v4 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v5 |
| ef:activity/change/20260822T0600486828500000/217000 | unit_iri | ef:agent/unit_normalization | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v5 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v6 |
| ef:activity/change/20260822T0600486828500000/223669 | prefLabel | ef:agent/normalize_name_case | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v6 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v7 |
| ef:activity/change/20260822T0600486828500000/237689 | properties | ef:agent/enrich_references | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v7 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v8 |
| ef:activity/change/20260822T0600486828500000/237690 | skos_definition | ef:agent/enrich_references | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v8 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v9 |
| ef:activity/change/20260822T0600486828500000/237691 | references | ef:agent/enrich_references | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v9 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v10 |
| ef:activity/change/20260822T0600486828500000/251335 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v10 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v11 |
| ef:activity/change/20260822T0600486828500000/268820 | altLabel | ef:agent/consensus_match | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v11 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v12 |
| ef:activity/change/20260822T0600486828500000/268821 | cas_match_labels | ef:agent/consensus_match | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v12 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v13 |
| ef:activity/change/20260822T0600486828500000/276517 | properties | ef:agent/opsin_iupac | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v13 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v14 |
| ef:activity/change/20260822T0600486828500000/283129 | properties | ef:agent/rdkit_post_consensus | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v14 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v15 |
| ef:activity/change/20260822T0600486828500000/289546 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v15 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v16 |
| ef:activity/change/20260822T0600486828500000/302924 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v16 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v17 |
| ef:activity/change/20260822T0600486828500000/390874 | properties | ef:agent/normalise_property_values | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v17 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v18 |
| ef:activity/change/20260822T0600486828500000/398671 | types | ef:agent/link_flows_to_their_substance | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v18 | ef:flow/0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea/v19 |