3-nitrobenzaldehyde
Everything that changed this flow. Back to the flow
7c0c48db-b589-4139-9c8c-1047394ef1a4
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 5504' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=3-nitrobenzaldehyde||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-61-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a062cc206cfc216b: {'99-61-6': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 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=['99-61-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_231487']; candidate_pubchem_cids=[7449, 54697844]; selected_pubchem_cids=[7449]; 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 |
|---|---|---|---|---|---|
| 1,871 | bootstrap_labels | prefLabel | — | [{"@value":"3-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 1,872 | bootstrap_labels | name | 3-nitrobenzaldehyde | — | Purged legacy name field to enforce prefLabel usage |
| 1,873 | bootstrap_labels | synonyms | ["3-Formylnitrobenzene","5-Nitrobenzaldehyde","AB1002385","AC-10904","AC1L1OSA","AC1Q5AHL","AKOS000118886","AP-065/4023… | [] | Removed legacy synonyms field in favor of structured labels |
| 123,470 | 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 |
| 123,471 | 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 |
| 213,962 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 228,980 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO3"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,981 | enrich_references | skos_definition | — | [{"@value":"A benzaldehyde carrying a nitro group at the 3-position.","@language":"en","provenance":{"prov:wasGenerated… | Merged ChEBI/PubChem definitions into skos:definition |
| 228,982 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.345D","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['99-61-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_231487']; candidate_pubchem_cids=[7449, 54697844]; selected_pubchem_cids=[7449]; 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 |
| 248,834 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO3"],… | rdkit_pre_consensus from 'C1=CC(=CC(=C1)[N+](=O)[O-])C=O'; added: monoisotopic_mass |
| 254,597 | chebi_altlabels | altLabel | [] | [{"@value":"3-nitrobenzenecarboxaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,162 | consensus_match | altLabel | [{"@value":"3-nitrobenzenecarboxaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"3-nitrobenzenecarboxaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | group_key=3-nitrobenzaldehyde||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=99-61-6; added Common Chemistry CAS names as altLabel: Benzaldehyde, 3-nitro-, Benzaldehyde, <em>m</em>-nitro-, NSC 5504; object_uuid=fo-a062cc206cfc216b |
| 262,163 | consensus_match | cas_match_labels | — | {"99-61-6":"exactMatch"} | group_key=3-nitrobenzaldehyde||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-61-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a062cc206cfc216b: {'99-61-6': 'exactMatch'} |
| 273,956 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-nitrobenzaldehyde' |
| 280,356 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO3"],… | rdkit_post_consensus from 'O=Cc1cccc([N+](=O)[O-])c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,628 | strip_catalogue_altlabels | altLabel | [{"@value":"3-nitrobenzenecarboxaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"3-nitrobenzenecarboxaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Removed 1 catalogue altLabel value(s): 'NSC 5504' (registry code) |
| 342,733 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7c0c48db-b589-… | associations resolved on the elementary layer |
| 388,246 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO3"],… | typed the way the ontology types it |
| 394,898 | 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/20260821T1554374006150000/1871 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v0 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v1 |
| ef:activity/change/20260821T1554374006150000/1872 | name | ef:agent/bootstrap_labels | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v1 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v2 |
| ef:activity/change/20260821T1554374006150000/1873 | synonyms | ef:agent/bootstrap_labels | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v2 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v3 |
| ef:activity/change/20260821T1554374006150000/123470 | context | ef:agent/default_context_mapping | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v3 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v4 |
| ef:activity/change/20260821T1554374006150000/123471 | context_iri | ef:agent/default_context_mapping | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v4 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v5 |
| ef:activity/change/20260821T1554374006150000/213962 | unit_iri | ef:agent/unit_normalization | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v5 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v6 |
| ef:activity/change/20260821T1554374006150000/228980 | properties | ef:agent/enrich_references | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v6 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v7 |
| ef:activity/change/20260821T1554374006150000/228981 | skos_definition | ef:agent/enrich_references | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v7 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v8 |
| ef:activity/change/20260821T1554374006150000/228982 | references | ef:agent/enrich_references | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v8 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v9 |
| ef:activity/change/20260821T1554374006150000/248834 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v9 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v10 |
| ef:activity/change/20260821T1554374006150000/254597 | altLabel | ef:agent/chebi_altlabels | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v10 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v11 |
| ef:activity/change/20260821T1554374006150000/262162 | altLabel | ef:agent/consensus_match | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v11 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v12 |
| ef:activity/change/20260821T1554374006150000/262163 | cas_match_labels | ef:agent/consensus_match | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v12 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v13 |
| ef:activity/change/20260821T1554374006150000/273956 | properties | ef:agent/opsin_iupac | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v13 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v14 |
| ef:activity/change/20260821T1554374006150000/280356 | properties | ef:agent/rdkit_post_consensus | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v14 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v15 |
| ef:activity/change/20260821T1554374006150000/287628 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v15 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v16 |
| ef:activity/change/20260821T1554374006150000/342733 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v16 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v17 |
| ef:activity/change/20260821T1554374006150000/388246 | properties | ef:agent/normalise_property_values | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v17 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v18 |
| ef:activity/change/20260821T1554374006150000/394898 | types | ef:agent/link_flows_to_their_substance | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v18 | ef:flow/7c0c48db-b589-4139-9c8c-1047394ef1a4/v19 |