(2-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone
Everything that changed this flow. Back to the flow
2c016a20-428a-4acd-bf9e-39184a2feb56
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-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'141645-16-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8bf21e80ee0e7dba: {'141645-16-1': '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 water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 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=['141645-16-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[887, 11473234]; selected_pubchem_cids=[11473234]; 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 |
|---|---|---|---|---|---|
| 10,042 | bootstrap_labels | prefLabel | — | [{"@value":"(2-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone","@language":"en","source":{"prov:wasGenerate… | Bootstrapped prefLabel from legacy name field |
| 10,043 | bootstrap_labels | name | (2-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone | — | Purged legacy name field to enforce prefLabel usage |
| 10,044 | bootstrap_labels | synonyms | ["organic","sr28043"] | [] | Removed legacy synonyms field in favor of structured labels |
| 66,174 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 66,175 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 216,680 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,776 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H17NO5"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,777 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,778 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.309.680A","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['141645-16-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[887, 11473234]; selected_pubchem_cids=[11473234]; 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 |
| 251,082 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H17NO5"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H17NO5"… | rdkit_pre_consensus from 'CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)O'; added: molecular_mass, monoisotopic_mass |
| 257,632 | consensus_match | altLabel | [] | [{"@value":"(2-Butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone","@language":"en","source":{"prov:wasGenerat… | group_key=(2-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone||dimension=Environmental > media=Ground > geography=Unknown; cas=141645-16-1; added Common Chemistry CAS names as altLabel: (2-Butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone, (2-Butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)methanone, (2-Butyl-5-nitrobenzo[<em>b</em>]furan-3-yl)(4-hydroxyphenyl)methanone, (2-Butyl-5-nitrobenzofuran-3-yl)(4-hydroxyphenyl)methanone, 2-(<em>n</em>-Butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuran, 2-Butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran, Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-; object_uuid=fo-8bf21e80ee0e7dba |
| 257,633 | consensus_match | cas_match_labels | — | {"141645-16-1":"exactMatch"} | group_key=(2-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'141645-16-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8bf21e80ee0e7dba: {'141645-16-1': 'exactMatch'} |
| 276,280 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H17NO5"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H17NO5"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(2-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone' |
| 282,869 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H17NO5"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H17NO5"… | rdkit_post_consensus from 'CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(O)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,512 | dedupe_altlabels | altLabel | [{"@value":"(2-Butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone","@language":"en","source":{"prov:wasGenerat… | [{"@value":"(2-Butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone","@language":"en","source":{"prov:wasGenerat… | Deduplicated altLabel values and removed entries matching prefLabel |
| 314,124 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2c016a20-428a-… | associations resolved on the elementary layer |
| 390,628 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H17NO5"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H17NO5"… | 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
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/20260820T0738569779880000/10042 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v0 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v1 |
| ef:activity/change/20260820T0738569779880000/10043 | name | ef:agent/bootstrap_labels | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v1 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v2 |
| ef:activity/change/20260820T0738569779880000/10044 | synonyms | ef:agent/bootstrap_labels | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v2 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v3 |
| ef:activity/change/20260820T0738569779880000/66174 | context | ef:agent/default_context_mapping | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v3 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v4 |
| ef:activity/change/20260820T0738569779880000/66175 | context_iri | ef:agent/default_context_mapping | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v4 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v5 |
| ef:activity/change/20260820T0738569779880000/216680 | unit_iri | ef:agent/unit_normalization | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v5 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v6 |
| ef:activity/change/20260820T0738569779880000/236776 | properties | ef:agent/enrich_references | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v6 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v7 |
| ef:activity/change/20260820T0738569779880000/236777 | skos_definition | ef:agent/enrich_references | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v7 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v8 |
| ef:activity/change/20260820T0738569779880000/236778 | references | ef:agent/enrich_references | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v8 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v9 |
| ef:activity/change/20260820T0738569779880000/251082 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v9 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v10 |
| ef:activity/change/20260820T0738569779880000/257632 | altLabel | ef:agent/consensus_match | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v10 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v11 |
| ef:activity/change/20260820T0738569779880000/257633 | cas_match_labels | ef:agent/consensus_match | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v11 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v12 |
| ef:activity/change/20260820T0738569779880000/276280 | properties | ef:agent/opsin_iupac | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v12 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v13 |
| ef:activity/change/20260820T0738569779880000/282869 | properties | ef:agent/rdkit_post_consensus | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v13 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v14 |
| ef:activity/change/20260820T0738569779880000/292512 | altLabel | ef:agent/dedupe_altlabels | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v14 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v15 |
| ef:activity/change/20260820T0738569779880000/314124 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v15 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v16 |
| ef:activity/change/20260820T0738569779880000/390628 | properties | ef:agent/normalise_property_values | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v16 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v17 |
| ef:activity/change/20260820T0738569779880000/398307 | types | ef:agent/link_flows_to_their_substance | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v17 | ef:flow/2c016a20-428a-4acd-bf9e-39184a2feb56/v18 |