6-nitroquinoline
Everything that changed this flow. Back to the flow
52e8fe3f-00cb-4d65-b6f6-77095895b981
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 4141' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 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=['613-50-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[11945, 7064110]; selected_pubchem_cids=[11945]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,474 | bootstrap_labels | prefLabel | — | [{"@value":"6-nitroquinoline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 2,475 | bootstrap_labels | name | 6-nitroquinoline | — | Purged legacy name field to enforce prefLabel usage |
| 2,476 | bootstrap_labels | synonyms | ["AC-5110","AC-907/25014227","AC1L1YHU","AKOS000131406","N0252","Oprea1_316994","Oprea1_756562","QUINOLINE, 6-NITRO-","… | [] | Removed legacy synonyms field in favor of structured labels |
| 99,206 | 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 |
| 99,207 | 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 |
| 214,164 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 229,559 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,560 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,561 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.997A","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['613-50-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[11945, 7064110]; selected_pubchem_cids=[11945]; 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 |
| 249,003 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | rdkit_pre_consensus from 'C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1'; added: molecular_mass, monoisotopic_mass |
| 263,286 | consensus_match | altLabel | [] | [{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consen… | group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
| 263,287 | consensus_match | cas_match_labels | — | {"613-50-3":"exactMatch"} | group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
| 274,123 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '6-nitroquinoline' |
| 280,539 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | rdkit_post_consensus from 'O=[N+]([O-])c1ccc2ncccc2c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,740 | strip_catalogue_altlabels | altLabel | [{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consen… | [{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributed… | Removed 1 catalogue altLabel value(s): 'NSC 4141' (registry code) |
| 330,600 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/52e8fe3f-00cb-… | associations resolved on the elementary layer |
| 388,416 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | typed the way the ontology types it |
| 395,139 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1554374006150000/2474 | prefLabel | ef:agent/bootstrap_labels | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v0 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v1 |
| ef:activity/change/20260821T1554374006150000/2475 | name | ef:agent/bootstrap_labels | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v1 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v2 |
| ef:activity/change/20260821T1554374006150000/2476 | synonyms | ef:agent/bootstrap_labels | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v2 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v3 |
| ef:activity/change/20260821T1554374006150000/99206 | context | ef:agent/default_context_mapping | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v3 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v4 |
| ef:activity/change/20260821T1554374006150000/99207 | context_iri | ef:agent/default_context_mapping | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v4 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v5 |
| ef:activity/change/20260821T1554374006150000/214164 | unit_iri | ef:agent/unit_normalization | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v5 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v6 |
| ef:activity/change/20260821T1554374006150000/229559 | properties | ef:agent/enrich_references | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v6 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v7 |
| ef:activity/change/20260821T1554374006150000/229560 | skos_definition | ef:agent/enrich_references | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v7 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v8 |
| ef:activity/change/20260821T1554374006150000/229561 | references | ef:agent/enrich_references | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v8 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v9 |
| ef:activity/change/20260821T1554374006150000/249003 | properties | ef:agent/rdkit_pre_consensus | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v9 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v10 |
| ef:activity/change/20260821T1554374006150000/263286 | altLabel | ef:agent/consensus_match | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v10 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v11 |
| ef:activity/change/20260821T1554374006150000/263287 | cas_match_labels | ef:agent/consensus_match | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v11 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v12 |
| ef:activity/change/20260821T1554374006150000/274123 | properties | ef:agent/opsin_iupac | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v12 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v13 |
| ef:activity/change/20260821T1554374006150000/280539 | properties | ef:agent/rdkit_post_consensus | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v13 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v14 |
| ef:activity/change/20260821T1554374006150000/287740 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v14 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v15 |
| ef:activity/change/20260821T1554374006150000/330600 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v15 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v16 |
| ef:activity/change/20260821T1554374006150000/388416 | properties | ef:agent/normalise_property_values | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v16 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v17 |
| ef:activity/change/20260821T1554374006150000/395139 | types | ef:agent/link_flows_to_their_substance | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v17 | ef:flow/52e8fe3f-00cb-4d65-b6f6-77095895b981/v18 |