Toluene-3-thiol
Everything that changed this flow. Back to the flow
9daab281-9c85-4023-b31e-8d8a60255f97
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 81219' (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=toluene-3-thiol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-40-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2116037c85b91eef: {'108-40-7': '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 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=['108-40-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[7930, 414564, 6992362]; selected_pubchem_cids=[7930]; 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 |
|---|---|---|---|---|---|
| 4,206 | bootstrap_labels | prefLabel | — | [{"@value":"toluene-3-thiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 4,207 | bootstrap_labels | name | toluene-3-thiol | — | Purged legacy name field to enforce prefLabel usage |
| 11,966 | bootstrap_labels | synonyms | ["3-Mercaptotoluene","3-Methylbenzenethiol","3-Methylthiophenol","3-THIOCRESOL","3-methylbenzene-1-thiol","AC1L1PVO","A… | [] | Removed legacy synonyms field in favor of structured labels |
| 143,594 | 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 |
| 143,595 | 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 |
| 214,744 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,065 | normalize_name_case | prefLabel | [{"@value":"toluene-3-thiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Toluene-3-thiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,225 | 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=0, pubchem_cids=1) |
| 231,226 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,227 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.076H","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['108-40-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[7930, 414564, 6992362]; selected_pubchem_cids=[7930]; 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 |
| 249,479 | 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 'CC1=CC(=CC=C1)S'; added: molecular_mass, monoisotopic_mass |
| 272,690 | consensus_match | altLabel | [] | [{"@value":"(3-Methylphenyl)thiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | group_key=toluene-3-thiol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=108-40-7; added Common Chemistry CAS names as altLabel: (3-Methylphenyl)thiol, 3-Mercaptotoluene, 3-Methylbenzene-1-thiol, 3-Methylbenzenethiol, 3-Methylphenyl mercaptan, 3-Methylthiophenol, <em>m</em>-Mercaptotoluene, <em>m</em>-Methylbenzenethiol, <em>m</em>-Methylthiophenol, <em>m</em>-Thiocresol, <em>m</em>-Toluenethiol, <em>m</em>-Tolyl mercaptan, <em>m</em>-Tolylthiol, Benzenethiol, 3-methyl-, NSC 81219; object_uuid=fo-2116037c85b91eef |
| 272,691 | consensus_match | cas_match_labels | — | {"108-40-7":"exactMatch"} | group_key=toluene-3-thiol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-40-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2116037c85b91eef: {'108-40-7': 'exactMatch'} |
| 274,612 | 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 'Toluene-3-thiol' |
| 281,066 | 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 'Cc1cccc(S)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,110 | strip_catalogue_altlabels | altLabel | [{"@value":"(3-Methylphenyl)thiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | [{"@value":"(3-Methylphenyl)thiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 81219' (registry code) |
| 352,799 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9daab281-9c85-… | associations resolved on the elementary layer |
| 388,919 | 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 |
| 395,855 | 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/20260821T1302361922970000/4206 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v0 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v1 |
| ef:activity/change/20260821T1302361922970000/4207 | name | ef:agent/bootstrap_labels | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v1 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v2 |
| ef:activity/change/20260821T1302361922970000/11966 | synonyms | ef:agent/bootstrap_labels | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v2 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v3 |
| ef:activity/change/20260821T1302361922970000/143594 | context | ef:agent/default_context_mapping | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v3 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v4 |
| ef:activity/change/20260821T1302361922970000/143595 | context_iri | ef:agent/default_context_mapping | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v4 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v5 |
| ef:activity/change/20260821T1302361922970000/214744 | unit_iri | ef:agent/unit_normalization | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v5 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v6 |
| ef:activity/change/20260821T1302361922970000/222065 | prefLabel | ef:agent/normalize_name_case | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v6 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v7 |
| ef:activity/change/20260821T1302361922970000/231225 | properties | ef:agent/enrich_references | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v7 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v8 |
| ef:activity/change/20260821T1302361922970000/231226 | skos_definition | ef:agent/enrich_references | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v8 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v9 |
| ef:activity/change/20260821T1302361922970000/231227 | references | ef:agent/enrich_references | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v9 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v10 |
| ef:activity/change/20260821T1302361922970000/249479 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v10 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v11 |
| ef:activity/change/20260821T1302361922970000/272690 | altLabel | ef:agent/consensus_match | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v11 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v12 |
| ef:activity/change/20260821T1302361922970000/272691 | cas_match_labels | ef:agent/consensus_match | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v12 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v13 |
| ef:activity/change/20260821T1302361922970000/274612 | properties | ef:agent/opsin_iupac | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v13 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v14 |
| ef:activity/change/20260821T1302361922970000/281066 | properties | ef:agent/rdkit_post_consensus | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v14 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v15 |
| ef:activity/change/20260821T1302361922970000/288110 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v15 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v16 |
| ef:activity/change/20260821T1302361922970000/352799 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v16 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v17 |
| ef:activity/change/20260821T1302361922970000/388919 | properties | ef:agent/normalise_property_values | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v17 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v18 |
| ef:activity/change/20260821T1302361922970000/395855 | types | ef:agent/link_flows_to_their_substance | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v18 | ef:flow/9daab281-9c85-4023-b31e-8d8a60255f97/v19 |