2-Nitrobenzoic Acid
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-6ba2c9c4db685643
Changes
30| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,978 | bootstrap_labels | prefLabel | — | [{"@value":"2-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 14,979 | bootstrap_labels | name | 2-Nitrobenzoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 14,980 | bootstrap_labels | synonyms | ["o-nitrobenzoic acid","ortho-nitrobenzoic acid"] | [] | Removed legacy synonyms field in favor of structured labels |
| 50,252 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 50,253 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 168,194 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 168,195 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 176,598 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 176,599 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 197,112 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 197,113 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 218,274 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,547 | normalize_name_case | prefLabel | [{"@value":"2-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"2-Nitrobenzoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,967 | ec_cross_check | ec_numbers | [] | ["209-004-9"] | Resolved from EC-inventory: 209-004-9 from CAS 552-16-9 |
| 241,333 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO4"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 241,334 | enrich_references | skos_definition | — | [{"@value":"A nitrobenzoic acid carrying the nitro substituent at position 2.","@language":"en","provenance":{"prov:was… | Merged ChEBI/PubChem definitions into skos:definition |
| 241,335 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.389.648H","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['552-16-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_25620']; candidate_pubchem_cids=[11087, 5159892]; selected_pubchem_cids=[11087]; 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 |
| 252,396 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO4"],… | rdkit_pre_consensus from 'C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]'; added: monoisotopic_mass |
| 256,375 | chebi_altlabels | altLabel | [] | [{"@value":"o-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,228 | consensus_match | altLabel | [{"@value":"o-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"o-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | group_key=2-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=552-16-9; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-nitro-, Benzoic acid, <em>o</em>-nitro-, NSC 9576; object_uuid=fo-6ba2c9c4db685643 |
| 261,229 | consensus_match | cas_match_labels | — | {"552-16-9":"exactMatch"} | group_key=2-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'552-16-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6ba2c9c4db685643: {'552-16-9': 'exactMatch'} |
| 277,587 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO4"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-Nitrobenzoic Acid' |
| 284,284 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO4"],… | rdkit_post_consensus from 'O=C(O)c1ccccc1[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,313 | strip_catalogue_altlabels | altLabel | [{"@value":"o-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"o-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 9576' (registry code) |
| 306,151 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/15ddc39b-0613-… | associations resolved on the elementary layer |
| 365,121 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c7f2d29a-5bc9-… | associations resolved on the elementary layer |
| 369,320 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d625cae4-1c02-… | associations resolved on the elementary layer |
| 379,588 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f519c46c-70b6-… | associations resolved on the elementary layer |
| 391,942 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO4"],… | typed the way the ontology types it |
| 400,199 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |