4-(methylsulfonyl)-2-nitrobenzoic Acid
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-729fd0c86dd5f8f5
Changes
55| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,065 | bootstrap_labels | prefLabel | — | [{"@value":"4-(methylsulfonyl)-2-nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Bootstrapped prefLabel from legacy name field |
| 6,066 | bootstrap_labels | name | 4-(methylsulfonyl)-2-nitrobenzoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 6,067 | bootstrap_labels | synonyms | ["organic","benzoicacid,4-(methylsulfonyl)-2-nitro-","2-nitro-4(methanesulfonyl)benzoicacid","meso-acid","nitro-mesulba… | [] | Removed legacy synonyms field in favor of structured labels |
| 31,257 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 31,258 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 47,199 | 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 |
| 47,200 | 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 |
| 97,957 | 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 |
| 97,958 | 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 |
| 101,973 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 101,974 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 103,415 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 103,416 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 117,969 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 117,970 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 122,247 | 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 |
| 122,248 | 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 |
| 133,021 | 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 |
| 133,022 | 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 |
| 138,661 | 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 |
| 138,662 | 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 |
| 138,937 | 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) |
| 138,938 | 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) |
| 144,311 | 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) |
| 144,312 | 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) |
| 171,317 | 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 |
| 171,318 | 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 |
| 175,485 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 175,486 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 215,369 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,500 | normalize_name_case | prefLabel | [{"@value":"4-(methylsulfonyl)-2-nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | [{"@value":"4-(methylsulfonyl)-2-nitrobenzoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,015 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,016 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,017 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J416.787B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['110964-79-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[96750, 184292, 190490]; selected_pubchem_cids=[184292]; 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 |
| 250,005 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | rdkit_pre_consensus from 'CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 262,495 | consensus_match | altLabel | [] | [{"@value":"2-Nitro-4-(methylsulfonyl)benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | group_key=4-(methylsulfonyl)-2-nitrobenzoicacid||dimension=Environmental > media=Water > water_body=Ocean; cas=110964-79-9; added Common Chemistry CAS names as altLabel: 2-Nitro-4-(methylsulfonyl)benzoic acid, 2-Nitro-<em>p</em>-methylsulfonyl benzoic acid, 4-Mesyl-2-nitrobenzoic acid, Benzoic acid, 4-(methylsulfonyl)-2-nitro-; object_uuid=fo-729fd0c86dd5f8f5 |
| 262,496 | consensus_match | cas_match_labels | — | {"110964-79-9":"exactMatch"} | group_key=4-(methylsulfonyl)-2-nitrobenzoicacid||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'110964-79-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-729fd0c86dd5f8f5: {'110964-79-9': 'exactMatch'} |
| 275,140 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-(methylsulfonyl)-2-nitrobenzoic Acid' |
| 281,637 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | rdkit_post_consensus from 'CS(=O)(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,316 | dedupe_altlabels | altLabel | [{"@value":"2-Nitro-4-(methylsulfonyl)benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | [{"@value":"2-Nitro-4-(methylsulfonyl)benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | Deduplicated altLabel values and removed entries matching prefLabel |
| 296,708 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0797df82-6fba-… | associations resolved on the elementary layer |
| 304,667 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/10aa264f-411f-… | associations resolved on the elementary layer |
| 330,014 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/50cc95be-9ab2-… | associations resolved on the elementary layer |
| 332,022 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/57cd9cb3-dd4b-… | associations resolved on the elementary layer |
| 332,742 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5a4369f0-8dd2-… | associations resolved on the elementary layer |
| 340,019 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/72941d91-c5f2-… | associations resolved on the elementary layer |
| 342,158 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/79db2b23-6230-… | associations resolved on the elementary layer |
| 347,542 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8bdfa261-21f6-… | associations resolved on the elementary layer |
| 350,368 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/958fd40f-09cf-… | associations resolved on the elementary layer |
| 350,506 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/96141404-b89f-… | associations resolved on the elementary layer |