Thioanisole
Everything that changed this flow. Back to the flow
84f2d0a8-30af-4bc3-818e-a35c298b753b
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 57916' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=100-68-5; cc_chebi_agreed_name='Thioanisole'; object_uuid=fo-62ee4e8d6b5716ad |
| cas_match_labels | 1 | consensus_match | group_key=methylphenylsulphide||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-68-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-62ee4e8d6b5716ad: {'100-68-5': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['100-68-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_134281']; candidate_pubchem_cids=[7520, 220006, 2734089]; selected_pubchem_cids=[7520]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 10,213 | bootstrap_labels | prefLabel | — | [{"@value":"methyl phenyl sulphide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 10,214 | bootstrap_labels | name | methyl phenyl sulphide | — | Purged legacy name field to enforce prefLabel usage |
| 10,215 | bootstrap_labels | synonyms | ["(1-Thiaethyl)benzene","(Methylthio)benzene","1-Phenyl-1-thiaethane","AB1002286","AC1L1OY4","AC1Q7DXY","AKOS000121371"… | [] | Removed legacy synonyms field in favor of structured labels |
| 128,846 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 128,847 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 216,730 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,480 | normalize_name_case | prefLabel | [{"@value":"methyl phenyl sulphide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Methyl Phenyl Sulphide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,927 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8S"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 236,928 | enrich_references | skos_definition | — | [{"@value":"An aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl g… | Merged ChEBI/PubChem definitions into skos:definition |
| 236,929 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.592K","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['100-68-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_134281']; candidate_pubchem_cids=[7520, 220006, 2734089]; selected_pubchem_cids=[7520]; 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 |
| 251,120 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8S"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8S"],"a… | rdkit_pre_consensus from 'CSC1=CC=CC=C1'; added: monoisotopic_mass |
| 255,831 | chebi_altlabels | altLabel | [] | [{"@value":"(1-thiaethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,911 | consensus_match | prefLabel | [{"@value":"Methyl Phenyl Sulphide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Thioanisole","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"con… | cas=100-68-5; cc_chebi_agreed_name='Thioanisole'; object_uuid=fo-62ee4e8d6b5716ad |
| 268,912 | consensus_match | altLabel | [{"@value":"(1-thiaethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"(1-thiaethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | cas=100-68-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-62ee4e8d6b5716ad |
| 268,913 | consensus_match | altLabel | [{"@value":"(1-thiaethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"(1-thiaethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=methylphenylsulphide||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=100-68-5; added Common Chemistry CAS names as altLabel: Anisole, thio-, Benzene, (methylthio)-, Methyl phenyl sulfane, Methylphenyl thioether, NSC 57916, Phenyl methyl thioether, Sulfide, methyl phenyl, Thioanisol; object_uuid=fo-62ee4e8d6b5716ad |
| 268,914 | consensus_match | cas_match_labels | — | {"100-68-5":"exactMatch"} | group_key=methylphenylsulphide||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-68-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-62ee4e8d6b5716ad: {'100-68-5': 'exactMatch'} |
| 276,305 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8S"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8S"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Thioanisole' |
| 282,896 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8S"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8S"],"a… | rdkit_post_consensus from 'CSc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,381 | strip_catalogue_altlabels | altLabel | [{"@value":"(1-thiaethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"(1-thiaethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Removed 1 catalogue altLabel value(s): 'NSC 57916' (registry code) |
| 345,424 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/84f2d0a8-30af-… | associations resolved on the elementary layer |
| 390,650 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8S"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8S"],"a… | typed the way the ontology types it |
| 398,352 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260821T1302361922970000/10213 | prefLabel | ef:agent/bootstrap_labels | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v0 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v1 |
| ef:activity/change/20260821T1302361922970000/10214 | name | ef:agent/bootstrap_labels | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v1 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v2 |
| ef:activity/change/20260821T1302361922970000/10215 | synonyms | ef:agent/bootstrap_labels | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v2 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v3 |
| ef:activity/change/20260821T1302361922970000/128846 | context | ef:agent/default_context_mapping | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v3 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v4 |
| ef:activity/change/20260821T1302361922970000/128847 | context_iri | ef:agent/default_context_mapping | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v4 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v5 |
| ef:activity/change/20260821T1302361922970000/216730 | unit_iri | ef:agent/unit_normalization | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v5 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v6 |
| ef:activity/change/20260821T1302361922970000/223480 | prefLabel | ef:agent/normalize_name_case | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v6 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v7 |
| ef:activity/change/20260821T1302361922970000/236927 | properties | ef:agent/enrich_references | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v7 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v8 |
| ef:activity/change/20260821T1302361922970000/236928 | skos_definition | ef:agent/enrich_references | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v8 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v9 |
| ef:activity/change/20260821T1302361922970000/236929 | references | ef:agent/enrich_references | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v9 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v10 |
| ef:activity/change/20260821T1302361922970000/251120 | properties | ef:agent/rdkit_pre_consensus | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v10 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v11 |
| ef:activity/change/20260821T1302361922970000/255831 | altLabel | ef:agent/chebi_altlabels | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v11 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v12 |
| ef:activity/change/20260821T1302361922970000/268911 | prefLabel | ef:agent/consensus_match | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v12 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v13 |
| ef:activity/change/20260821T1302361922970000/268912 | altLabel | ef:agent/consensus_match | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v13 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v14 |
| ef:activity/change/20260821T1302361922970000/268913 | altLabel | ef:agent/consensus_match | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v14 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v15 |
| ef:activity/change/20260821T1302361922970000/268914 | cas_match_labels | ef:agent/consensus_match | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v15 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v16 |
| ef:activity/change/20260821T1302361922970000/276305 | properties | ef:agent/opsin_iupac | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v16 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v17 |
| ef:activity/change/20260821T1302361922970000/282896 | properties | ef:agent/rdkit_post_consensus | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v17 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v18 |
| ef:activity/change/20260821T1302361922970000/289381 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v18 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v19 |
| ef:activity/change/20260821T1302361922970000/345424 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v19 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v20 |
| ef:activity/change/20260821T1302361922970000/390650 | properties | ef:agent/normalise_property_values | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v20 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v21 |
| ef:activity/change/20260821T1302361922970000/398352 | types | ef:agent/link_flows_to_their_substance | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v21 | ef:flow/84f2d0a8-30af-4bc3-818e-a35c298b753b/v22 |