Pentafluorothiophenol
Everything that changed this flow. Back to the flow
554d28c2-b619-459e-9b81-0f582b060836
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 2 catalogue altLabel value(s): 'NSC 88286' (registry code), 'P 0861' (grade 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=pentafluorothiophenol||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'771-62-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2defd7428d68382e: {'771-62-0': '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 non-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 non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['771-62-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[13042]; selected_pubchem_cids=[13042]; 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 |
|---|---|---|---|---|---|
| 10,099 | bootstrap_labels | prefLabel | — | [{"@value":"pentafluorothiophenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 10,100 | bootstrap_labels | name | pentafluorothiophenol | — | Purged legacy name field to enforce prefLabel usage |
| 10,101 | bootstrap_labels | synonyms | ["2,3,4,5,6-Pentafluorobenzenethiol","2,3,4,5,6-Pentafluorophenyl hydrosulfide","2,3,4,5,6-Pentafluorothiophenol","AC1L… | [] | Removed legacy synonyms field in favor of structured labels |
| 100,558 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 100,559 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 216,693 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,456 | normalize_name_case | prefLabel | [{"@value":"pentafluorothiophenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Pentafluorothiophenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,823 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HF5S"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,824 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,825 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.511B","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['771-62-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[13042]; selected_pubchem_cids=[13042]; 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 |
| 251,091 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HF5S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HF5S"],"… | rdkit_pre_consensus from 'C1(=C(C(=C(C(=C1F)F)S)F)F)F'; added: molecular_mass, monoisotopic_mass |
| 270,449 | consensus_match | altLabel | [] | [{"@value":"(Pentafluorophenyl)thiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | group_key=pentafluorothiophenol||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=771-62-0; added Common Chemistry CAS names as altLabel: (Pentafluorophenyl)thiol, 2,3,4,5,6-Pentafluorobenzenethiol, 2,3,4,5,6-Pentafluorothiophenol, Benzenethiol, 2,3,4,5,6-pentafluoro-, Benzenethiol, pentafluoro-, Mercapto(pentafluoro)benzene, NSC 88286, P 0861, PFBT, Pentafluorobenzenethiol, Pentafluorophenyl mercaptan, Perfluorothiophenol; object_uuid=fo-2defd7428d68382e |
| 270,450 | consensus_match | cas_match_labels | — | {"771-62-0":"exactMatch"} | group_key=pentafluorothiophenol||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'771-62-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2defd7428d68382e: {'771-62-0': 'exactMatch'} |
| 276,275 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HF5S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HF5S"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Pentafluorothiophenol' |
| 282,865 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HF5S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HF5S"],"… | rdkit_post_consensus from 'Fc1c(F)c(F)c(S)c(F)c1F'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,362 | strip_catalogue_altlabels | altLabel | [{"@value":"(Pentafluorophenyl)thiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | [{"@value":"(Pentafluorophenyl)thiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | Removed 2 catalogue altLabel value(s): 'NSC 88286' (registry code), 'P 0861' (grade code) |
| 331,276 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/554d28c2-b619-… | associations resolved on the elementary layer |
| 390,622 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HF5S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HF5S"],"… | typed the way the ontology types it |
| 398,307 | 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/20260822T0600486828500000/10099 | prefLabel | ef:agent/bootstrap_labels | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v0 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v1 |
| ef:activity/change/20260822T0600486828500000/10100 | name | ef:agent/bootstrap_labels | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v1 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v2 |
| ef:activity/change/20260822T0600486828500000/10101 | synonyms | ef:agent/bootstrap_labels | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v2 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v3 |
| ef:activity/change/20260822T0600486828500000/100558 | context | ef:agent/default_context_mapping | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v3 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v4 |
| ef:activity/change/20260822T0600486828500000/100559 | context_iri | ef:agent/default_context_mapping | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v4 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v5 |
| ef:activity/change/20260822T0600486828500000/216693 | unit_iri | ef:agent/unit_normalization | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v5 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v6 |
| ef:activity/change/20260822T0600486828500000/223456 | prefLabel | ef:agent/normalize_name_case | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v6 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v7 |
| ef:activity/change/20260822T0600486828500000/236823 | properties | ef:agent/enrich_references | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v7 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v8 |
| ef:activity/change/20260822T0600486828500000/236824 | skos_definition | ef:agent/enrich_references | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v8 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v9 |
| ef:activity/change/20260822T0600486828500000/236825 | references | ef:agent/enrich_references | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v9 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v10 |
| ef:activity/change/20260822T0600486828500000/251091 | properties | ef:agent/rdkit_pre_consensus | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v10 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v11 |
| ef:activity/change/20260822T0600486828500000/270449 | altLabel | ef:agent/consensus_match | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v11 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v12 |
| ef:activity/change/20260822T0600486828500000/270450 | cas_match_labels | ef:agent/consensus_match | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v12 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v13 |
| ef:activity/change/20260822T0600486828500000/276275 | properties | ef:agent/opsin_iupac | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v13 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v14 |
| ef:activity/change/20260822T0600486828500000/282865 | properties | ef:agent/rdkit_post_consensus | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v14 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v15 |
| ef:activity/change/20260822T0600486828500000/289362 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v15 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v16 |
| ef:activity/change/20260822T0600486828500000/331276 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v16 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v17 |
| ef:activity/change/20260822T0600486828500000/390622 | properties | ef:agent/normalise_property_values | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v17 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v18 |
| ef:activity/change/20260822T0600486828500000/398307 | types | ef:agent/link_flows_to_their_substance | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v18 | ef:flow/554d28c2-b619-459e-9b81-0f582b060836/v19 |