2-nitrotoluene
Everything that changed this flow. Back to the flow
032e4a55-0321-4eb6-8639-898465746de4
By field
14 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 9577' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-nitrotoluene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'88-72-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b32d51587ee070e2: {'88-72-2': '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 air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 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=['88-72-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_33098']; candidate_pubchem_cids=[6944, 565951]; selected_pubchem_cids=[6944]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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 |
|---|---|---|---|---|---|
| 2,591 | bootstrap_labels | prefLabel | — | [{"@value":"2-nitrotoluene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 2,592 | bootstrap_labels | name | 2-nitrotoluene | — | Purged legacy name field to enforce prefLabel usage |
| 2,593 | bootstrap_labels | synonyms | ["1-Methyl-2-nitrobenzene","2-Methyl-1-nitrobenzene","2-Methylnitrobenzene","2-Nitrotoluol","AB1003566","AC1L1NND","AC1… | [] | Removed legacy synonyms field in favor of structured labels |
| 27,742 | 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 |
| 27,743 | 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 |
| 214,203 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 229,670 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 229,671 | enrich_references | skos_definition | — | [{"@value":"A mononitrotoluene that is toluene carrying a nitro substituent at position 2.","@language":"en","provenanc… | Merged ChEBI/PubChem definitions into skos:definition |
| 229,672 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.906C","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['88-72-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_33098']; candidate_pubchem_cids=[6944, 565951]; selected_pubchem_cids=[6944]; 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 |
| 249,035 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO2"],… | rdkit_pre_consensus from 'CC1=CC=CC=C1[N+](=O)[O-]'; added: monoisotopic_mass |
| 254,672 | chebi_altlabels | altLabel | [] | [{"@value":"1-methyl-2-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,236 | consensus_match | altLabel | [{"@value":"1-methyl-2-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"1-methyl-2-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | group_key=2-nitrotoluene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=88-72-2; added Common Chemistry CAS names as altLabel: 2-Methylnitrobenzene, <em>o</em>-Mononitrotoluene, Benzene, 1-methyl-2-nitro-, NSC 9577, Toluene, <em>o</em>-nitro-; object_uuid=fo-b32d51587ee070e2 |
| 261,237 | consensus_match | cas_match_labels | — | {"88-72-2":"exactMatch"} | group_key=2-nitrotoluene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'88-72-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b32d51587ee070e2: {'88-72-2': 'exactMatch'} |
| 274,153 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-nitrotoluene' |
| 280,572 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO2"],… | rdkit_post_consensus from 'Cc1ccccc1[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,761 | strip_catalogue_altlabels | altLabel | [{"@value":"1-methyl-2-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"1-methyl-2-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Removed 1 catalogue altLabel value(s): 'NSC 9577' (registry code) |
| 294,913 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/032e4a55-0321-… | associations resolved on the elementary layer |
| 388,445 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO2"],… | typed the way the ontology types it |
| 395,185 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 395,186 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_78298","rdfs:label":"environmental contaminant","http://www.w3.org/2004/0… | 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/20260821T1122181958110000/2591 | prefLabel | ef:agent/bootstrap_labels | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v0 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v1 |
| ef:activity/change/20260821T1122181958110000/2592 | name | ef:agent/bootstrap_labels | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v1 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v2 |
| ef:activity/change/20260821T1122181958110000/2593 | synonyms | ef:agent/bootstrap_labels | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v2 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v3 |
| ef:activity/change/20260821T1122181958110000/27742 | context | ef:agent/default_context_mapping | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v3 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v4 |
| ef:activity/change/20260821T1122181958110000/27743 | context_iri | ef:agent/default_context_mapping | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v4 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v5 |
| ef:activity/change/20260821T1122181958110000/214203 | unit_iri | ef:agent/unit_normalization | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v5 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v6 |
| ef:activity/change/20260821T1122181958110000/229670 | properties | ef:agent/enrich_references | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v6 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v7 |
| ef:activity/change/20260821T1122181958110000/229671 | skos_definition | ef:agent/enrich_references | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v7 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v8 |
| ef:activity/change/20260821T1122181958110000/229672 | references | ef:agent/enrich_references | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v8 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v9 |
| ef:activity/change/20260821T1122181958110000/249035 | properties | ef:agent/rdkit_pre_consensus | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v9 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v10 |
| ef:activity/change/20260821T1122181958110000/254672 | altLabel | ef:agent/chebi_altlabels | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v10 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v11 |
| ef:activity/change/20260821T1122181958110000/261236 | altLabel | ef:agent/consensus_match | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v11 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v12 |
| ef:activity/change/20260821T1122181958110000/261237 | cas_match_labels | ef:agent/consensus_match | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v12 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v13 |
| ef:activity/change/20260821T1122181958110000/274153 | properties | ef:agent/opsin_iupac | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v13 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v14 |
| ef:activity/change/20260821T1122181958110000/280572 | properties | ef:agent/rdkit_post_consensus | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v14 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v15 |
| ef:activity/change/20260821T1122181958110000/287761 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v15 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v16 |
| ef:activity/change/20260821T1122181958110000/294913 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v16 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v17 |
| ef:activity/change/20260821T1122181958110000/388445 | properties | ef:agent/normalise_property_values | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v17 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v18 |
| ef:activity/change/20260821T1122181958110000/395185 | types | ef:agent/link_flows_to_their_substance | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v18 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v19 |
| ef:activity/change/20260821T1122181958110000/395186 | roles | ef:agent/link_flows_to_their_substance | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v19 | ef:flow/032e4a55-0321-4eb6-8639-898465746de4/v20 |