2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one
Everything that changed this flow. Back to the flow
62930a59-b1e9-43b6-9efa-63da8a29c745
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'53207-58-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00932765e25d6a1f: {'53207-58-2': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['53207-58-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[852539]; selected_pubchem_cids=[852539]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 19,136 | bootstrap_labels | prefLabel | — | [{"@value":"2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | Bootstrapped prefLabel from legacy name field |
| 19,137 | bootstrap_labels | name | 2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one | — | Purged legacy name field to enforce prefLabel usage |
| 19,138 | bootstrap_labels | synonyms | ["organic","1-propanone,2-methyl-1-[4-(methylthio)phenyl]-"] | [] | Removed legacy synonyms field in favor of structured labels |
| 108,336 | 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 |
| 108,337 | 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 |
| 219,576 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 244,991 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14OS"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,992 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,993 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J427.310I","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['53207-58-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[852539]; selected_pubchem_cids=[852539]; 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 |
| 253,447 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14OS"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14OS"]… | rdkit_pre_consensus from 'CC(C)C(=O)C1=CC=C(C=C1)SC'; added: molecular_mass, monoisotopic_mass |
| 261,032 | consensus_match | altLabel | [] | [{"@value":"1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | group_key=2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one||dimension=Environmental > media=Water > water_body=Unknown; cas=53207-58-2; added Common Chemistry CAS names as altLabel: 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-, 2-Methyl-1-(4-methylsulfanylphenyl)propan-1-one, 2-Methyl-1-[4-(methylthio)phenyl]-1-propanone, <em>p</em>-(Methylthio)isobutyrophenone; object_uuid=fo-00932765e25d6a1f |
| 261,033 | consensus_match | cas_match_labels | — | {"53207-58-2":"exactMatch"} | group_key=2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'53207-58-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00932765e25d6a1f: {'53207-58-2': 'exactMatch'} |
| 278,661 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14OS"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14OS"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one' |
| 285,441 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14OS"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14OS"]… | rdkit_post_consensus from 'CSc1ccc(C(=O)C(C)C)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 293,017 | dedupe_altlabels | altLabel | [{"@value":"1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | [{"@value":"1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | Deduplicated altLabel values and removed entries matching prefLabel |
| 335,166 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/62930a59-b1e9-… | associations resolved on the elementary layer |
| 393,028 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14OS"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14OS"]… | typed the way the ontology types it |
| 401,784 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1302361922970000/19136 | prefLabel | ef:agent/bootstrap_labels | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v0 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v1 |
| ef:activity/change/20260821T1302361922970000/19137 | name | ef:agent/bootstrap_labels | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v1 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v2 |
| ef:activity/change/20260821T1302361922970000/19138 | synonyms | ef:agent/bootstrap_labels | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v2 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v3 |
| ef:activity/change/20260821T1302361922970000/108336 | context | ef:agent/default_context_mapping | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v3 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v4 |
| ef:activity/change/20260821T1302361922970000/108337 | context_iri | ef:agent/default_context_mapping | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v4 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v5 |
| ef:activity/change/20260821T1302361922970000/219576 | unit_iri | ef:agent/unit_normalization | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v5 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v6 |
| ef:activity/change/20260821T1302361922970000/244991 | properties | ef:agent/enrich_references | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v6 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v7 |
| ef:activity/change/20260821T1302361922970000/244992 | skos_definition | ef:agent/enrich_references | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v7 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v8 |
| ef:activity/change/20260821T1302361922970000/244993 | references | ef:agent/enrich_references | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v8 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v9 |
| ef:activity/change/20260821T1302361922970000/253447 | properties | ef:agent/rdkit_pre_consensus | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v9 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v10 |
| ef:activity/change/20260821T1302361922970000/261032 | altLabel | ef:agent/consensus_match | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v10 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v11 |
| ef:activity/change/20260821T1302361922970000/261033 | cas_match_labels | ef:agent/consensus_match | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v11 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v12 |
| ef:activity/change/20260821T1302361922970000/278661 | properties | ef:agent/opsin_iupac | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v12 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v13 |
| ef:activity/change/20260821T1302361922970000/285441 | properties | ef:agent/rdkit_post_consensus | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v13 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v14 |
| ef:activity/change/20260821T1302361922970000/293017 | altLabel | ef:agent/dedupe_altlabels | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v14 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v15 |
| ef:activity/change/20260821T1302361922970000/335166 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v15 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v16 |
| ef:activity/change/20260821T1302361922970000/393028 | properties | ef:agent/normalise_property_values | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v16 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v17 |
| ef:activity/change/20260821T1302361922970000/401784 | types | ef:agent/link_flows_to_their_substance | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v17 | ef:flow/62930a59-b1e9-43b6-9efa-63da8a29c745/v18 |