2-methyl-4,6-dinitrophenol
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-8ed7-0050c2490048
By field
14 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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'Effusan 3436' (trade name), 'NSC 2082' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-methyl-4,6-dinitrophenol||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'534-52-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e649029167e7ef16: {'534-52-1': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 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=['534-52-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_39349']; candidate_pubchem_cids=[10800, 10313539]; selected_pubchem_cids=[10800]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 7,234 | bootstrap_labels | prefLabel | — | [{"@value":"2-methyl-4,6-dinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Bootstrapped prefLabel from legacy name field |
| 7,235 | bootstrap_labels | name | 2-methyl-4,6-dinitrophenol | — | Purged legacy name field to enforce prefLabel usage |
| 7,236 | bootstrap_labels | synonyms | ["2,4-Dinitro-6-methylphenol","2,4-Dinitro-o-cresol","3,5-Dinitro-2-hydroxytoluene","4,6-DINITRO-O-CRESOL","4,6-Dinitro… | [] | Removed legacy synonyms field in favor of structured labels |
| 88,470 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 88,471 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 215,760 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 234,125 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O5"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 234,126 | enrich_references | skos_definition | — | [{"@value":"A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6.","@language":"en","prov… | Merged ChEBI/PubChem definitions into skos:definition |
| 234,127 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.289A","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['534-52-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_39349']; candidate_pubchem_cids=[10800, 10313539]; selected_pubchem_cids=[10800]; 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 |
| 250,324 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O5"]… | rdkit_pre_consensus from 'CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]'; added: monoisotopic_mass |
| 255,317 | chebi_altlabels | altLabel | [] | [{"@value":"2,4-Dinitro-6-methylphenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,091 | consensus_match | altLabel | [{"@value":"2,4-Dinitro-6-methylphenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"2,4-Dinitro-6-methylphenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | group_key=2-methyl-4,6-dinitrophenol||dimension=Environmental > media=Air > strata=Long-term; cas=534-52-1; added Common Chemistry CAS names as altLabel: 4,6-Dinitro-2-methylphenol, <em>o</em>-Cresol, 4,6-dinitro-, Arborol, Degrassan, Dekrysil, Detal, Dillex, Dinitro, Dinitro-<em>o</em>-cresol, Dinitrocresol, Dinitrodendtroxal, Dinitrol, Dinoc, Dinurania, Ditrosol, Effusan, Effusan 3436, Elgetol, Elgetol 30, Elipol, Extrar, Flavin-Sandoz, Hedolit, Hedolite, K III, K IV, Kreozan, Krezotol 50, Lipan, NSC 2082, Neudorff DN 50, Nitrofan, Phenol, 2-methyl-4,6-dinitro-, Prokarbol, Rafex, Rafex 35, Raphatox, Sandolin, Sandolin A, Selinon, Sinox, Winterwash; object_uuid=fo-e649029167e7ef16 |
| 261,092 | consensus_match | cas_match_labels | — | {"534-52-1":"exactMatch"} | group_key=2-methyl-4,6-dinitrophenol||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'534-52-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e649029167e7ef16: {'534-52-1': 'exactMatch'} |
| 275,485 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O5"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methyl-4,6-dinitrophenol' |
| 282,003 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O5"]… | rdkit_post_consensus from 'Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,761 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4-Dinitro-6-methylphenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"2,4-Dinitro-6-methylphenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Removed 2 catalogue altLabel value(s): 'Effusan 3436' (trade name), 'NSC 2082' (registry code) |
| 325,271 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 389,799 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O5"]… | typed the way the ontology types it |
| 397,106 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 397,107 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_22153","rdfs:label":"acaricide","http://www.w3.org/2004/02/skos/core#defi… | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260820T0738569779880000/7234 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v1 |
| ef:activity/change/20260820T0738569779880000/7235 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v2 |
| ef:activity/change/20260820T0738569779880000/7236 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v3 |
| ef:activity/change/20260820T0738569779880000/88470 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v4 |
| ef:activity/change/20260820T0738569779880000/88471 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v5 |
| ef:activity/change/20260820T0738569779880000/215760 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v6 |
| ef:activity/change/20260820T0738569779880000/234125 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v7 |
| ef:activity/change/20260820T0738569779880000/234126 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v8 |
| ef:activity/change/20260820T0738569779880000/234127 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v9 |
| ef:activity/change/20260820T0738569779880000/250324 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v10 |
| ef:activity/change/20260820T0738569779880000/255317 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v11 |
| ef:activity/change/20260820T0738569779880000/261091 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v12 |
| ef:activity/change/20260820T0738569779880000/261092 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v13 |
| ef:activity/change/20260820T0738569779880000/275485 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v14 |
| ef:activity/change/20260820T0738569779880000/282003 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v15 |
| ef:activity/change/20260820T0738569779880000/288761 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v16 |
| ef:activity/change/20260820T0738569779880000/325271 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v17 |
| ef:activity/change/20260820T0738569779880000/389799 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v18 |
| ef:activity/change/20260820T0738569779880000/397106 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v19 |
| ef:activity/change/20260820T0738569779880000/397107 | roles | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-8ed7-0050c2490048/v20 |