2-(1-methylethyl)-4,6-dinitrophenol
Everything that changed this flow. Back to the flow
26a141cc-48c3-45a2-963e-279e0f726c4e
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 5735' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-(1-methylethyl)-4,6-dinitrophenol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['pubchem']; cas_sources={'118-95-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-34117dbb58a06046: {'118-95-6': '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=['118-95-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[67056]; selected_pubchem_cids=[67056]; 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 |
|---|---|---|---|---|---|
| 19,227 | bootstrap_labels | prefLabel | — | [{"@value":"2-(1-methylethyl)-4,6-dinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Bootstrapped prefLabel from legacy name field |
| 19,228 | bootstrap_labels | name | 2-(1-methylethyl)-4,6-dinitrophenol | — | Purged legacy name field to enforce prefLabel usage |
| 19,229 | bootstrap_labels | synonyms | ["2,4-Dinitro-6-isopropylphenol","2,4-dinitro-6-(propan-2-yl)phenol","2,4-dinitro-6-propan-2-ylphenol","2-Isopropyl-4,6… | [] | Removed legacy synonyms field in favor of structured labels |
| 62,056 | 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) |
| 62,057 | 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) |
| 219,603 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 245,067 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10N2O5"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,068 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,069 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.599.557B","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['118-95-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[67056]; selected_pubchem_cids=[67056]; 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 |
| 253,469 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10N2O5"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10N2O5"… | rdkit_pre_consensus from 'CC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O'; added: molecular_mass, monoisotopic_mass |
| 260,190 | consensus_match | altLabel | [] | [{"@value":"2,4-Dinitro-6-isopropylphenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | group_key=2-(1-methylethyl)-4,6-dinitrophenol||dimension=Environmental > media=Water > water_body=Long-term; cas=118-95-6; added Common Chemistry CAS names as altLabel: 2,4-Dinitro-6-isopropylphenol, 2-Isopropyl-4,6-dinitrophenol, 4,6-Dinitro-2-isopropylphenol, DNPP, Motylkopielik, NSC 5735, Phenol, 2-(1-methylethyl)-4,6-dinitro-, Phenol, 2-isopropyl-4,6-dinitro-; object_uuid=fo-34117dbb58a06046 |
| 260,191 | consensus_match | cas_match_labels | — | {"118-95-6":"exactMatch"} | group_key=2-(1-methylethyl)-4,6-dinitrophenol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['pubchem']; cas_sources={'118-95-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-34117dbb58a06046: {'118-95-6': 'exactMatch'} |
| 278,685 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10N2O5"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10N2O5"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-(1-methylethyl)-4,6-dinitrophenol' |
| 285,465 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10N2O5"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10N2O5"… | rdkit_post_consensus from 'CC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,122 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4-Dinitro-6-isopropylphenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | [{"@value":"2,4-Dinitro-6-isopropylphenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | Removed 1 catalogue altLabel value(s): 'NSC 5735' (registry code) |
| 312,047 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/26a141cc-48c3-… | associations resolved on the elementary layer |
| 393,053 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10N2O5"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10N2O5"… | typed the way the ontology types it |
| 401,817 | 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/20260821T1302361922970000/19227 | prefLabel | ef:agent/bootstrap_labels | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v0 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v1 |
| ef:activity/change/20260821T1302361922970000/19228 | name | ef:agent/bootstrap_labels | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v1 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v2 |
| ef:activity/change/20260821T1302361922970000/19229 | synonyms | ef:agent/bootstrap_labels | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v2 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v3 |
| ef:activity/change/20260821T1302361922970000/62056 | context | ef:agent/default_context_mapping | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v3 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v4 |
| ef:activity/change/20260821T1302361922970000/62057 | context_iri | ef:agent/default_context_mapping | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v4 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v5 |
| ef:activity/change/20260821T1302361922970000/219603 | unit_iri | ef:agent/unit_normalization | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v5 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v6 |
| ef:activity/change/20260821T1302361922970000/245067 | properties | ef:agent/enrich_references | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v6 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v7 |
| ef:activity/change/20260821T1302361922970000/245068 | skos_definition | ef:agent/enrich_references | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v7 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v8 |
| ef:activity/change/20260821T1302361922970000/245069 | references | ef:agent/enrich_references | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v8 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v9 |
| ef:activity/change/20260821T1302361922970000/253469 | properties | ef:agent/rdkit_pre_consensus | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v9 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v10 |
| ef:activity/change/20260821T1302361922970000/260190 | altLabel | ef:agent/consensus_match | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v10 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v11 |
| ef:activity/change/20260821T1302361922970000/260191 | cas_match_labels | ef:agent/consensus_match | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v11 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v12 |
| ef:activity/change/20260821T1302361922970000/278685 | properties | ef:agent/opsin_iupac | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v12 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v13 |
| ef:activity/change/20260821T1302361922970000/285465 | properties | ef:agent/rdkit_post_consensus | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v13 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v14 |
| ef:activity/change/20260821T1302361922970000/291122 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v14 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v15 |
| ef:activity/change/20260821T1302361922970000/312047 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v15 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v16 |
| ef:activity/change/20260821T1302361922970000/393053 | properties | ef:agent/normalise_property_values | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v16 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v17 |
| ef:activity/change/20260821T1302361922970000/401817 | types | ef:agent/link_flows_to_their_substance | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v17 | ef:flow/26a141cc-48c3-45a2-963e-279e0f726c4e/v18 |