2-methyl-5-nitrobenzenesulfonic Acid
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-d7347394ca13e649
Changes
56| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 659 | bootstrap_labels | prefLabel | — | [{"@value":"2-methyl-5-nitrobenzenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 660 | bootstrap_labels | name | 2-methyl-5-nitrobenzenesulfonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 661 | bootstrap_labels | synonyms | ["organic","4-nitrotoluene-2-sulphonicacid","pntsa"] | [] | Removed legacy synonyms field in favor of structured labels |
| 26,347 | 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 |
| 26,348 | 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 |
| 49,169 | 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 |
| 49,170 | 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 |
| 49,187 | 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 |
| 49,188 | 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 |
| 52,911 | 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 |
| 52,912 | 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 |
| 68,155 | 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) |
| 68,156 | 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) |
| 87,195 | 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 |
| 87,196 | 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 |
| 113,403 | 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 |
| 113,404 | 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 |
| 146,607 | 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 |
| 146,608 | 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 |
| 156,061 | 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 |
| 156,062 | 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 |
| 157,871 | 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 |
| 157,872 | 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 |
| 164,041 | 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 |
| 164,042 | 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 |
| 166,665 | 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 |
| 166,666 | 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 |
| 196,447 | 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) |
| 196,448 | 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) |
| 213,557 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,252 | normalize_name_case | prefLabel | [{"@value":"2-methyl-5-nitrobenzenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"2-methyl-5-nitrobenzenesulfonic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,798 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,799 | enrich_references | skos_definition | — | [{"@value":"The arenesulfonic acid that is toluene-2-sulfonic acid bearing a nitro substituent at C-4.","@language":"en… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,800 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.070F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['121-03-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_67120']; candidate_pubchem_cids=[8458, 82828, 45358874, 70699501]; selected_pubchem_cids=[8458]; 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 |
| 248,492 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | rdkit_pre_consensus from 'CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O'; added: monoisotopic_mass |
| 254,469 | chebi_altlabels | altLabel | [] | [{"@value":"2-methyl-5-nitrobenzenesulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,110 | consensus_match | altLabel | [{"@value":"2-methyl-5-nitrobenzenesulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | [{"@value":"2-methyl-5-nitrobenzenesulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | group_key=2-methyl-5-nitrobenzenesulfonicacid||dimension=Environmental > media=Ground > geography=Agricultural; cas=121-03-9; added Common Chemistry CAS names as altLabel: <em>o</em>-Toluenesulfonic acid, 5-nitro-, Benzenesulfonic acid, 2-methyl-5-nitro-, NSC 9580, PNTOS; object_uuid=fo-d7347394ca13e649 |
| 261,111 | consensus_match | cas_match_labels | — | {"121-03-9":"exactMatch"} | group_key=2-methyl-5-nitrobenzenesulfonicacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'121-03-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d7347394ca13e649: {'121-03-9': 'exactMatch'} |
| 273,618 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methyl-5-nitrobenzenesulfonic Acid' |
| 279,984 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | rdkit_post_consensus from 'Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,393 | strip_catalogue_altlabels | altLabel | [{"@value":"2-methyl-5-nitrobenzenesulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | [{"@value":"2-methyl-5-nitrobenzenesulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | Removed 1 catalogue altLabel value(s): 'NSC 9580' (registry code) |
| 294,256 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/00ad5dd8-ae8e-… | associations resolved on the elementary layer |
| 305,650 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/13f6752d-fe99-… | associations resolved on the elementary layer |
| 305,659 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/13fe63ca-021a-… | associations resolved on the elementary layer |
| 307,522 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/18d03453-ebbd-… | associations resolved on the elementary layer |
| 315,133 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2f6362fc-afdf-… | associations resolved on the elementary layer |
| 324,650 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d703c69-2102-… | associations resolved on the elementary layer |
| 337,735 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6adba7b7-9ac5-… | associations resolved on the elementary layer |
| 354,356 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a299d451-73f9-… | associations resolved on the elementary layer |
| 359,085 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b2d08544-d7a7-… | associations resolved on the elementary layer |