Dinobuton
Everything that changed this flow. Back to the flow
dff7e5c4-515b-4b6f-9277-84d02252687e
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 3 catalogue altLabel value(s): 'MC 1053' (grade code), 'UC 19786' (grade code), 'Union Carbide 19786' (trade name) |
| 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=dinobuton||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'973-21-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-452e81d2b6f56dd9: {'973-21-7': '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 air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['973-21-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_81914']; candidate_pubchem_cids=[13783]; selected_pubchem_cids=[13783]; 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 |
|---|---|---|---|---|---|
| 13,319 | bootstrap_labels | prefLabel | — | [{"@value":"dinobuton","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | Bootstrapped prefLabel from legacy name field |
| 13,320 | bootstrap_labels | name | dinobuton | — | Purged legacy name field to enforce prefLabel usage |
| 25,463 | bootstrap_labels | synonyms | ["2-(1-methylpropyl)-4,6-dinitrophenylisopropylcarbonate","dinobuton","dinobuton(iso)","2-(butan-2-yl)-4,6-dinitropheny… | [] | Removed legacy synonyms field in favor of structured labels |
| 183,198 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 183,199 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 217,741 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,184 | normalize_name_case | prefLabel | [{"@value":"dinobuton","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | [{"@value":"Dinobuton","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,809 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N2O7… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 239,810 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,811 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.356A","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['973-21-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_81914']; candidate_pubchem_cids=[13783]; selected_pubchem_cids=[13783]; 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 |
| 251,949 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N2O7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N2O7… | rdkit_pre_consensus from 'CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(C)C'; added: monoisotopic_mass |
| 266,190 | consensus_match | altLabel | [] | [{"@value":"2,4-Dinitro-6-<em>sec</em>-butylphenyl-<em>O</em>-isopropyl carbonate","@language":"en","source":{"prov:was… | group_key=dinobuton||dimension=Environmental > media=Air > strata=Long-term; cas=973-21-7; added Common Chemistry CAS names as altLabel: 2,4-Dinitro-6-<em>sec</em>-butylphenyl-<em>O</em>-isopropyl carbonate, 2,4-Dinitro-6-<em>sec</em>-butylphenyl-isopropylcarbonate, 2-<em>sec</em>-Butyl-4,6-dinitrophenyl isopropyl carbonate, Acrex, Akrex, Carbonic acid, 1-methylethyl 2-(1-methylpropyl)-4,6-dinitrophenyl ester, Carbonic acid, 2-<em>sec</em>-butyl-4,6-dinitrophenyl isopropyl ester, Dessin, Drawinol, Isophen, Isophen (pesticide), Isopropyl 2,4-dinitro-6-<em>sec</em>-butylphenyl carbonate, Kasebon, MC 1053, UC 19786, Union Carbide 19786; object_uuid=fo-452e81d2b6f56dd9 |
| 266,191 | consensus_match | cas_match_labels | — | {"973-21-7":"exactMatch"} | group_key=dinobuton||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'973-21-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-452e81d2b6f56dd9: {'973-21-7': 'exactMatch'} |
| 277,145 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N2O7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N2O7… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-sec-Butyl-4,6-dinitrophenyl isopropyl carbonate' |
| 283,805 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N2O7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N2O7… | rdkit_post_consensus from 'CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,992 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4-Dinitro-6-<em>sec</em>-butylphenyl-<em>O</em>-isopropyl carbonate","@language":"en","source":{"prov:was… | [{"@value":"2,4-Dinitro-6-sec-butylphenyl-O-isopropyl carbonate","@language":"en","source":{"prov:wasGeneratedBy":"cons… | Removed 3 catalogue altLabel value(s): 'MC 1053' (grade code), 'UC 19786' (grade code), 'Union Carbide 19786' (trade name) |
| 372,626 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/dff7e5c4-515b-… | associations resolved on the elementary layer |
| 391,494 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N2O7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N2O7… | typed the way the ontology types it |
| 399,551 | 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/20260822T0600486828500000/13319 | prefLabel | ef:agent/bootstrap_labels | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v0 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v1 |
| ef:activity/change/20260822T0600486828500000/13320 | name | ef:agent/bootstrap_labels | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v1 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v2 |
| ef:activity/change/20260822T0600486828500000/25463 | synonyms | ef:agent/bootstrap_labels | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v2 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v3 |
| ef:activity/change/20260822T0600486828500000/183198 | context | ef:agent/default_context_mapping | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v3 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v4 |
| ef:activity/change/20260822T0600486828500000/183199 | context_iri | ef:agent/default_context_mapping | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v4 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v5 |
| ef:activity/change/20260822T0600486828500000/217741 | unit_iri | ef:agent/unit_normalization | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v5 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v6 |
| ef:activity/change/20260822T0600486828500000/224184 | prefLabel | ef:agent/normalize_name_case | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v6 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v7 |
| ef:activity/change/20260822T0600486828500000/239809 | properties | ef:agent/enrich_references | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v7 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v8 |
| ef:activity/change/20260822T0600486828500000/239810 | skos_definition | ef:agent/enrich_references | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v8 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v9 |
| ef:activity/change/20260822T0600486828500000/239811 | references | ef:agent/enrich_references | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v9 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v10 |
| ef:activity/change/20260822T0600486828500000/251949 | properties | ef:agent/rdkit_pre_consensus | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v10 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v11 |
| ef:activity/change/20260822T0600486828500000/266190 | altLabel | ef:agent/consensus_match | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v11 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v12 |
| ef:activity/change/20260822T0600486828500000/266191 | cas_match_labels | ef:agent/consensus_match | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v12 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v13 |
| ef:activity/change/20260822T0600486828500000/277145 | properties | ef:agent/opsin_iupac | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v13 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v14 |
| ef:activity/change/20260822T0600486828500000/283805 | properties | ef:agent/rdkit_post_consensus | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v14 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v15 |
| ef:activity/change/20260822T0600486828500000/289992 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v15 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v16 |
| ef:activity/change/20260822T0600486828500000/372626 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v16 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v17 |
| ef:activity/change/20260822T0600486828500000/391494 | properties | ef:agent/normalise_property_values | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v17 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v18 |
| ef:activity/change/20260822T0600486828500000/399551 | types | ef:agent/link_flows_to_their_substance | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v18 | ef:flow/dff7e5c4-515b-4b6f-9277-84d02252687e/v19 |