2,5-dinitrophenol
Everything that changed this flow. Back to the flow
3502ae07-ce13-484a-a6d9-074e2c96836f
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 90441' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,5-dinitrophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'329-71-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3fdf112e2b22f13e: {'329-71-5': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 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=['329-71-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_40810']; candidate_pubchem_cids=[9492]; selected_pubchem_cids=[9492]; 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 |
|---|---|---|---|---|---|
| 9,217 | bootstrap_labels | prefLabel | — | [{"@value":"2,5-dinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 9,218 | bootstrap_labels | name | 2,5-dinitrophenol | — | Purged legacy name field to enforce prefLabel usage |
| 9,219 | bootstrap_labels | synonyms | [".gamma.-Dinitrophenol","2,5-DNP","2,5-Dinitrofenol","AC1L1T5Y","AKOS003247471","LTBB004410","Phenol, .gamma.-dinitro-… | [] | Removed legacy synonyms field in favor of structured labels |
| 72,162 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 72,163 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 216,406 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,000 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 236,001 | enrich_references | skos_definition | — | [{"@value":"A dinitrophenol having the nitro groups at the 2- and 5-positions.","@language":"en","provenance":{"prov:wa… | Merged ChEBI/PubChem definitions into skos:definition |
| 236,002 | enrich_references | references | [] | [{"@id":"beilstein:1913411","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['329-71-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_40810']; candidate_pubchem_cids=[9492]; selected_pubchem_cids=[9492]; 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 |
| 250,851 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | rdkit_pre_consensus from 'C1=CC(=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]'; added: monoisotopic_mass |
| 255,714 | chebi_altlabels | altLabel | [] | [{"@value":"2,5-DNP","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,042 | consensus_match | altLabel | [{"@value":"2,5-DNP","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | [{"@value":"2,5-DNP","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | group_key=2,5-dinitrophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=329-71-5; added Common Chemistry CAS names as altLabel: NSC 90441, Phenol, 2,5-dinitro-, Phenol, γ-dinitro-; object_uuid=fo-3fdf112e2b22f13e |
| 260,043 | consensus_match | cas_match_labels | — | {"329-71-5":"exactMatch"} | group_key=2,5-dinitrophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'329-71-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3fdf112e2b22f13e: {'329-71-5': 'exactMatch'} |
| 276,034 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,5-dinitrophenol' |
| 282,602 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | rdkit_post_consensus from 'O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,181 | strip_catalogue_altlabels | altLabel | [{"@value":"2,5-DNP","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | [{"@value":"2,5-DNP","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | Removed 1 catalogue altLabel value(s): 'NSC 90441' (registry code) |
| 317,091 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3502ae07-ce13-… | associations resolved on the elementary layer |
| 390,376 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | typed the way the ontology types it |
| 397,958 | 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/20260821T0609040591070000/9217 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v0 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v1 |
| ef:activity/change/20260821T0609040591070000/9218 | name | ef:agent/bootstrap_labels | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v1 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v2 |
| ef:activity/change/20260821T0609040591070000/9219 | synonyms | ef:agent/bootstrap_labels | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v2 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v3 |
| ef:activity/change/20260821T0609040591070000/72162 | context | ef:agent/default_context_mapping | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v3 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v4 |
| ef:activity/change/20260821T0609040591070000/72163 | context_iri | ef:agent/default_context_mapping | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v4 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v5 |
| ef:activity/change/20260821T0609040591070000/216406 | unit_iri | ef:agent/unit_normalization | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v5 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v6 |
| ef:activity/change/20260821T0609040591070000/236000 | properties | ef:agent/enrich_references | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v6 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v7 |
| ef:activity/change/20260821T0609040591070000/236001 | skos_definition | ef:agent/enrich_references | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v7 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v8 |
| ef:activity/change/20260821T0609040591070000/236002 | references | ef:agent/enrich_references | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v8 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v9 |
| ef:activity/change/20260821T0609040591070000/250851 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v9 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v10 |
| ef:activity/change/20260821T0609040591070000/255714 | altLabel | ef:agent/chebi_altlabels | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v10 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v11 |
| ef:activity/change/20260821T0609040591070000/260042 | altLabel | ef:agent/consensus_match | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v11 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v12 |
| ef:activity/change/20260821T0609040591070000/260043 | cas_match_labels | ef:agent/consensus_match | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v12 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v13 |
| ef:activity/change/20260821T0609040591070000/276034 | properties | ef:agent/opsin_iupac | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v13 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v14 |
| ef:activity/change/20260821T0609040591070000/282602 | properties | ef:agent/rdkit_post_consensus | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v14 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v15 |
| ef:activity/change/20260821T0609040591070000/289181 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v15 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v16 |
| ef:activity/change/20260821T0609040591070000/317091 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v16 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v17 |
| ef:activity/change/20260821T0609040591070000/390376 | properties | ef:agent/normalise_property_values | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v17 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v18 |
| ef:activity/change/20260821T0609040591070000/397958 | types | ef:agent/link_flows_to_their_substance | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v18 | ef:flow/3502ae07-ce13-484a-a6d9-074e2c96836f/v19 |