3-[3-(propan-2-yl)phenyl]butanal
Everything that changed this flow. Back to the flow
c09d1d6e-bf4a-42c7-93bc-c70939fd69e8
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 | 1 | consensus_match | group_key=3-[3-(propan-2-yl)phenyl]butanal||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=125109-85-5; added Common Chemistry CAS names as altLabel: 3-(3-Isopropylphenyl)butanal, 3-(3-Propan-2-ylphenyl)butanal, Benzenepropanal, β-methyl-3-(1-methylethyl)-, Florhydral, β-Methyl-3-(1-methylethyl)benzenepropanal; object_uuid=fo-0b1d9a2831887850 |
| cas_match_labels | 1 | consensus_match | group_key=3-[3-(propan-2-yl)phenyl]butanal||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['pubchem']; cas_sources={'125109-85-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0b1d9a2831887850: {'125109-85-5': '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 air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 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=['125109-85-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[86209, 57347264]; selected_pubchem_cids=[86209]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,169 | bootstrap_labels | prefLabel | — | [{"@value":"3-[3-(propan-2-yl)phenyl]butanal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 9,170 | bootstrap_labels | name | 3-[3-(propan-2-yl)phenyl]butanal | — | Purged legacy name field to enforce prefLabel usage |
| 9,171 | bootstrap_labels | synonyms | ["organic","î²-methyl-3-(1-methylethyl)-benzenepropanal","î²-methyl-3-(1-methylethyl)benzenepropanal","florhydral"] | [] | Removed legacy synonyms field in favor of structured labels |
| 163,922 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 163,923 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 216,390 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 235,955 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 235,956 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 235,957 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.563.138D","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['125109-85-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[86209, 57347264]; selected_pubchem_cids=[86209]; 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 |
| 250,839 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O"],… | rdkit_pre_consensus from 'CC(C)C1=CC(=CC=C1)C(C)CC=O'; added: molecular_mass, monoisotopic_mass |
| 261,866 | consensus_match | altLabel | [] | [{"@value":"3-(3-Isopropylphenyl)butanal","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | group_key=3-[3-(propan-2-yl)phenyl]butanal||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=125109-85-5; added Common Chemistry CAS names as altLabel: 3-(3-Isopropylphenyl)butanal, 3-(3-Propan-2-ylphenyl)butanal, Benzenepropanal, β-methyl-3-(1-methylethyl)-, Florhydral, β-Methyl-3-(1-methylethyl)benzenepropanal; object_uuid=fo-0b1d9a2831887850 |
| 261,867 | consensus_match | cas_match_labels | — | {"125109-85-5":"exactMatch"} | group_key=3-[3-(propan-2-yl)phenyl]butanal||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['pubchem']; cas_sources={'125109-85-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0b1d9a2831887850: {'125109-85-5': 'exactMatch'} |
| 276,025 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-[3-(propan-2-yl)phenyl]butanal' |
| 282,595 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O"],… | rdkit_post_consensus from 'CC(C)c1cccc(C(C)CC=O)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 362,987 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c09d1d6e-bf4a-… | associations resolved on the elementary layer |
| 390,373 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O"],… | typed the way the ontology types it |
| 397,952 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1302361922970000/9169 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v0 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v1 |
| ef:activity/change/20260821T1302361922970000/9170 | name | ef:agent/bootstrap_labels | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v1 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v2 |
| ef:activity/change/20260821T1302361922970000/9171 | synonyms | ef:agent/bootstrap_labels | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v2 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v3 |
| ef:activity/change/20260821T1302361922970000/163922 | context | ef:agent/default_context_mapping | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v3 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v4 |
| ef:activity/change/20260821T1302361922970000/163923 | context_iri | ef:agent/default_context_mapping | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v4 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v5 |
| ef:activity/change/20260821T1302361922970000/216390 | unit_iri | ef:agent/unit_normalization | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v5 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v6 |
| ef:activity/change/20260821T1302361922970000/235955 | properties | ef:agent/enrich_references | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v6 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v7 |
| ef:activity/change/20260821T1302361922970000/235956 | skos_definition | ef:agent/enrich_references | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v7 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v8 |
| ef:activity/change/20260821T1302361922970000/235957 | references | ef:agent/enrich_references | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v8 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v9 |
| ef:activity/change/20260821T1302361922970000/250839 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v9 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v10 |
| ef:activity/change/20260821T1302361922970000/261866 | altLabel | ef:agent/consensus_match | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v10 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v11 |
| ef:activity/change/20260821T1302361922970000/261867 | cas_match_labels | ef:agent/consensus_match | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v11 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v12 |
| ef:activity/change/20260821T1302361922970000/276025 | properties | ef:agent/opsin_iupac | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v12 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v13 |
| ef:activity/change/20260821T1302361922970000/282595 | properties | ef:agent/rdkit_post_consensus | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v13 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v14 |
| ef:activity/change/20260821T1302361922970000/362987 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v14 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v15 |
| ef:activity/change/20260821T1302361922970000/390373 | properties | ef:agent/normalise_property_values | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v15 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v16 |
| ef:activity/change/20260821T1302361922970000/397952 | types | ef:agent/link_flows_to_their_substance | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v16 | ef:flow/c09d1d6e-bf4a-42c7-93bc-c70939fd69e8/v17 |