Picric Acid
Everything that changed this flow. Back to the flow
b10f278e-4ab3-4d49-a487-d87226a5931c
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 4 catalogue altLabel value(s): 'C.I. 10305' (registry code), 'CI 10305' (registry code), 'NSC 36947' (registry code), 'NSC 56147' (registry code) |
| 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=picricacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'88-89-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6c25772bb4bd6063: {'88-89-1': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['88-89-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_46149']; candidate_pubchem_cids=[6954]; selected_pubchem_cids=[6954]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 17,191 | bootstrap_labels | prefLabel | — | [{"@value":"picric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Bootstrapped prefLabel from legacy name field |
| 17,192 | bootstrap_labels | name | picric acid | — | Purged legacy name field to enforce prefLabel usage |
| 20,752 | bootstrap_labels | synonyms | ["1,3,5-Trinitrophenol","2,4,6-Trinitrofenol","2,4,6-Trinitrofenolo","2,4,6-Trinitrophenol","2,4,6-Trinitrophenyl","2-H… | [] | Removed legacy synonyms field in favor of structured labels |
| 155,158 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 155,159 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 218,973 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,025 | normalize_name_case | prefLabel | [{"@value":"picric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | [{"@value":"Picric Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,306 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O7"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 243,307 | enrich_references | skos_definition | — | [{"@value":"A C-nitro compound comprising phenol having three nitro substtituents at the 2-, 4- and 6-positions.","@lan… | Merged ChEBI/PubChem definitions into skos:definition |
| 243,308 | enrich_references | references | [] | [{"@id":"beilstein:423400","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['88-89-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_46149']; candidate_pubchem_cids=[6954]; selected_pubchem_cids=[6954]; 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 |
| 252,959 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O7"]… | rdkit_pre_consensus from 'C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]'; added: monoisotopic_mass |
| 256,644 | chebi_altlabels | altLabel | [] | [{"@value":"2,4,6-trinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,745 | consensus_match | altLabel | [{"@value":"2,4,6-trinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"2,4,6-trinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=picricacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=88-89-1; added Common Chemistry CAS names as altLabel: 1-Hydroxy-2,4,6-trinitrobenzene, Carbazotic acid, MeSH ID: D010851, Melinite, NSC 36947, NSC 56147, Nitroxanthic acid, Phenol, 2,4,6-trinitro-, Picral, Picronitric acid, Trinitrophenol; object_uuid=fo-6c25772bb4bd6063 |
| 270,746 | consensus_match | cas_match_labels | — | {"88-89-1":"exactMatch"} | group_key=picricacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'88-89-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6c25772bb4bd6063: {'88-89-1': 'exactMatch'} |
| 278,163 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O7"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Picric Acid' |
| 284,904 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O7"]… | rdkit_post_consensus from 'O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,743 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4,6-trinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"2,4,6-trinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Removed 4 catalogue altLabel value(s): 'C.I. 10305' (registry code), 'CI 10305' (registry code), 'NSC 36947' (registry code), 'NSC 56147' (registry code) |
| 358,603 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b10f278e-4ab3-… | associations resolved on the elementary layer |
| 392,519 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O7"]… | typed the way the ontology types it |
| 401,032 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1554374006150000/17191 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v0 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v1 |
| ef:activity/change/20260821T1554374006150000/17192 | name | ef:agent/bootstrap_labels | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v1 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v2 |
| ef:activity/change/20260821T1554374006150000/20752 | synonyms | ef:agent/bootstrap_labels | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v2 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v3 |
| ef:activity/change/20260821T1554374006150000/155158 | context | ef:agent/default_context_mapping | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v3 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v4 |
| ef:activity/change/20260821T1554374006150000/155159 | context_iri | ef:agent/default_context_mapping | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v4 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v5 |
| ef:activity/change/20260821T1554374006150000/218973 | unit_iri | ef:agent/unit_normalization | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v5 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v6 |
| ef:activity/change/20260821T1554374006150000/225025 | prefLabel | ef:agent/normalize_name_case | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v6 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v7 |
| ef:activity/change/20260821T1554374006150000/243306 | properties | ef:agent/enrich_references | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v7 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v8 |
| ef:activity/change/20260821T1554374006150000/243307 | skos_definition | ef:agent/enrich_references | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v8 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v9 |
| ef:activity/change/20260821T1554374006150000/243308 | references | ef:agent/enrich_references | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v9 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v10 |
| ef:activity/change/20260821T1554374006150000/252959 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v10 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v11 |
| ef:activity/change/20260821T1554374006150000/256644 | altLabel | ef:agent/chebi_altlabels | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v11 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v12 |
| ef:activity/change/20260821T1554374006150000/270745 | altLabel | ef:agent/consensus_match | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v12 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v13 |
| ef:activity/change/20260821T1554374006150000/270746 | cas_match_labels | ef:agent/consensus_match | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v13 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v14 |
| ef:activity/change/20260821T1554374006150000/278163 | properties | ef:agent/opsin_iupac | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v14 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v15 |
| ef:activity/change/20260821T1554374006150000/284904 | properties | ef:agent/rdkit_post_consensus | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v15 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v16 |
| ef:activity/change/20260821T1554374006150000/290743 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v16 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v17 |
| ef:activity/change/20260821T1554374006150000/358603 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v17 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v18 |
| ef:activity/change/20260821T1554374006150000/392519 | properties | ef:agent/normalise_property_values | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v18 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v19 |
| ef:activity/change/20260821T1554374006150000/401032 | types | ef:agent/link_flows_to_their_substance | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v19 | ef:flow/b10f278e-4ab3-4d49-a487-d87226a5931c/v20 |