Benzotrichloride
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-a26a-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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 14663' (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=benzotrichloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'98-07-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-957d3db16b5d68d6: {'98-07-7': '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 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=['98-07-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82274']; candidate_pubchem_cids=[7367, 9275]; selected_pubchem_cids=[7367]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 21,161 | bootstrap_labels | prefLabel | — | [{"@value":"benzotrichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 21,162 | bootstrap_labels | name | benzotrichloride | — | Purged legacy name field to enforce prefLabel usage |
| 22,830 | bootstrap_labels | synonyms | ["(Trichloromethyl)benzene",".alpha.,.alpha.,.alpha.-Trichlorotoluene",".omega.,.omega.,.omega.-Trichlorotoluene","1-(T… | [] | Removed legacy synonyms field in favor of structured labels |
| 204,470 | 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 |
| 204,471 | 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 |
| 220,147 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,883 | normalize_name_case | prefLabel | [{"@value":"benzotrichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Benzotrichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,600 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5Cl3"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,601 | enrich_references | skos_definition | — | [{"@value":"An organochlorine compound that is toluene in which all three hydrogens of the methyl group have been repla… | Merged ChEBI/PubChem definitions into skos:definition |
| 246,602 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.982I","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['98-07-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82274']; candidate_pubchem_cids=[7367, 9275]; selected_pubchem_cids=[7367]; 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 |
| 253,926 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5Cl3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5Cl3"],… | rdkit_pre_consensus from 'C1=CC=C(C=C1)C(Cl)(Cl)Cl'; added: monoisotopic_mass |
| 257,062 | chebi_altlabels | altLabel | [] | [{"@value":"(trichloromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,174 | consensus_match | altLabel | [{"@value":"(trichloromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"(trichloromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=benzotrichloride||dimension=Environmental > media=Air > indoor=Unknown; cas=98-07-7; added Common Chemistry CAS names as altLabel: Benzene, (trichloromethyl)-, Benzenyl chloride, Benzenyl trichloride, Benzyl trichloride, Benzylidyne chloride, NSC 14663, Phenyltrichloromethane, Toluene trichloride, Toluene, α,α,α-trichloro-, Trichlorophenylmethane, α,α,α-Trichlorotoluene, ω,ω,ω-Trichlorotoluene; object_uuid=fo-957d3db16b5d68d6 |
| 264,175 | consensus_match | cas_match_labels | — | {"98-07-7":"exactMatch"} | group_key=benzotrichloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'98-07-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-957d3db16b5d68d6: {'98-07-7': 'exactMatch'} |
| 279,113 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5Cl3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5Cl3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Benzotrichloride' |
| 285,964 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5Cl3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5Cl3"],… | rdkit_post_consensus from 'ClC(Cl)(Cl)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,426 | strip_catalogue_altlabels | altLabel | [{"@value":"(trichloromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"(trichloromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Removed 1 catalogue altLabel value(s): 'NSC 14663' (registry code) |
| 383,269 | 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 |
| 393,505 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5Cl3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5Cl3"],… | typed the way the ontology types it |
| 402,510 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1554374006150000/21161 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/21162 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/22830 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/204470 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/204471 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/220147 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/225883 | prefLabel | ef:agent/normalize_name_case | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/246600 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/246601 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/246602 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/253926 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/257062 | altLabel | ef:agent/chebi_altlabels | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/264174 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/264175 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/279113 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/285964 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/291426 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/383269 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/393505 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v19 |
| ef:activity/change/20260821T1554374006150000/402510 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v19 | ef:flow/fe0acd60-3ddc-11dd-a26a-0050c2490048/v20 |