4-nitrotoluene
Everything that changed this flow. Back to the flow
222d333d-fc46-44ab-8ef8-819112e49a58
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 1 catalogue altLabel value(s): 'NSC 9579' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=4-nitrotoluene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-99-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8393a576cf5c26e9: {'99-99-0': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['99-99-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_35227']; candidate_pubchem_cids=[7473, 162417, 12174986]; selected_pubchem_cids=[7473]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,466 | bootstrap_labels | prefLabel | — | [{"@value":"4-nitrotoluene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 18,467 | bootstrap_labels | name | 4-nitrotoluene | — | Purged legacy name field to enforce prefLabel usage |
| 18,468 | bootstrap_labels | synonyms | ["1-Methyl-4-nitrobenzene","4-Methylnitrobenzene","4-Nitrotoluol","4-nitrotoluene hydride","4-nitrotoluene, (ar-nitro)-… | [] | Removed legacy synonyms field in favor of structured labels |
| 59,434 | 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 |
| 59,435 | 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 |
| 219,374 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 244,427 | 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) |
| 244,428 | enrich_references | skos_definition | — | [{"@value":"A mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position.","@language":"en… | Merged ChEBI/PubChem definitions into skos:definition |
| 244,429 | enrich_references | references | [] | [{"@id":"beilstein:1906911","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['99-99-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_35227']; candidate_pubchem_cids=[7473, 162417, 12174986]; selected_pubchem_cids=[7473]; 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 |
| 253,288 | 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=C(C=C1)[N+](=O)[O-]'; added: monoisotopic_mass |
| 256,803 | chebi_altlabels | altLabel | [] | [{"@value":"1-Methyl-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,898 | consensus_match | altLabel | [{"@value":"1-Methyl-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"1-Methyl-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | group_key=4-nitrotoluene||dimension=Environmental > media=Water > water_body=Unknown; cas=99-99-0; added Common Chemistry CAS names as altLabel: 4-Methyl-1-nitrobenzene, <em>para</em>-Nitrotoluene, Benzene, 1-methyl-4-nitro-, NSC 9579, Toluene, <em>p</em>-nitro-; object_uuid=fo-8393a576cf5c26e9 |
| 262,899 | consensus_match | cas_match_labels | — | {"99-99-0":"exactMatch"} | group_key=4-nitrotoluene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-99-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8393a576cf5c26e9: {'99-99-0': 'exactMatch'} |
| 278,497 | 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 '4-nitrotoluene' |
| 285,264 | 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 'Cc1ccc([N+](=O)[O-])cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,969 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Methyl-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"1-Methyl-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Removed 1 catalogue altLabel value(s): 'NSC 9579' (registry code) |
| 310,736 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/222d333d-fc46-… | associations resolved on the elementary layer |
| 392,865 | 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 |
| 401,538 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1554374006150000/18466 | prefLabel | ef:agent/bootstrap_labels | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v0 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v1 |
| ef:activity/change/20260821T1554374006150000/18467 | name | ef:agent/bootstrap_labels | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v1 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v2 |
| ef:activity/change/20260821T1554374006150000/18468 | synonyms | ef:agent/bootstrap_labels | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v2 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v3 |
| ef:activity/change/20260821T1554374006150000/59434 | context | ef:agent/default_context_mapping | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v3 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v4 |
| ef:activity/change/20260821T1554374006150000/59435 | context_iri | ef:agent/default_context_mapping | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v4 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v5 |
| ef:activity/change/20260821T1554374006150000/219374 | unit_iri | ef:agent/unit_normalization | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v5 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v6 |
| ef:activity/change/20260821T1554374006150000/244427 | properties | ef:agent/enrich_references | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v6 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v7 |
| ef:activity/change/20260821T1554374006150000/244428 | skos_definition | ef:agent/enrich_references | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v7 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v8 |
| ef:activity/change/20260821T1554374006150000/244429 | references | ef:agent/enrich_references | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v8 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v9 |
| ef:activity/change/20260821T1554374006150000/253288 | properties | ef:agent/rdkit_pre_consensus | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v9 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v10 |
| ef:activity/change/20260821T1554374006150000/256803 | altLabel | ef:agent/chebi_altlabels | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v10 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v11 |
| ef:activity/change/20260821T1554374006150000/262898 | altLabel | ef:agent/consensus_match | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v11 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v12 |
| ef:activity/change/20260821T1554374006150000/262899 | cas_match_labels | ef:agent/consensus_match | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v12 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v13 |
| ef:activity/change/20260821T1554374006150000/278497 | properties | ef:agent/opsin_iupac | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v13 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v14 |
| ef:activity/change/20260821T1554374006150000/285264 | properties | ef:agent/rdkit_post_consensus | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v14 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v15 |
| ef:activity/change/20260821T1554374006150000/290969 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v15 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v16 |
| ef:activity/change/20260821T1554374006150000/310736 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v16 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v17 |
| ef:activity/change/20260821T1554374006150000/392865 | properties | ef:agent/normalise_property_values | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v17 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v18 |
| ef:activity/change/20260821T1554374006150000/401538 | types | ef:agent/link_flows_to_their_substance | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v18 | ef:flow/222d333d-fc46-44ab-8ef8-819112e49a58/v19 |