Quinoline
Everything that changed this flow. Back to the flow
7c11e470-05b0-4129-917b-a38e4f16cccb
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 2 catalogue altLabel value(s): 'B 500' (grade code), 'NSC 3396' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=quinoline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'91-22-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9191a59baf9b1909: {'91-22-5': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['91-22-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17362']; candidate_pubchem_cids=[7047, 66335, 69460]; selected_pubchem_cids=[7047]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,458 | bootstrap_labels | prefLabel | — | [{"@value":"quinoline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | Bootstrapped prefLabel from legacy name field |
| 5,459 | bootstrap_labels | name | quinoline | — | Purged legacy name field to enforce prefLabel usage |
| 5,460 | bootstrap_labels | synonyms | ["(1E)-2-methyl-2-(methylthio)propanal O-[(methylamino)carbonyl]oxime","2-Methyl-2-(methylthio)propanal O-[(methylamino… | [] | Removed legacy synonyms field in favor of structured labels |
| 123,482 | 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 |
| 123,483 | 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 |
| 215,161 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,359 | normalize_name_case | prefLabel | [{"@value":"quinoline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | [{"@value":"Quinoline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,425 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,426 | enrich_references | skos_definition | — | [{"@value":"The simplest member of the quinoline class of compounds, comprising a benzene ring ortho fused to C-2 and C… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,427 | enrich_references | references | [] | [{"@id":"gmelin:27201","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"cons… | Added references with provenance; cas_numbers=['91-22-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17362']; candidate_pubchem_cids=[7047, 66335, 69460]; selected_pubchem_cids=[7047]; 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 |
| 249,822 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N"],"a… | rdkit_pre_consensus from 'C1=CC=C2C(=C1)C=CC=N2'; added: monoisotopic_mass |
| 255,067 | chebi_altlabels | altLabel | [] | [{"@value":"Chinolin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 271,266 | consensus_match | altLabel | [{"@value":"Chinolin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"Chinolin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | group_key=quinoline||dimension=Environmental > media=Ground > geography=Unknown; cas=91-22-5; added Common Chemistry CAS names as altLabel: 1-Azanaphthalene, 1-Benzazine, B 500, Benzopyridine, Leucol, Leucoline, Leukol, NSC 3396, Quinolin; object_uuid=fo-9191a59baf9b1909 |
| 271,267 | consensus_match | cas_match_labels | — | {"91-22-5":"exactMatch"} | group_key=quinoline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'91-22-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9191a59baf9b1909: {'91-22-5': 'exactMatch'} |
| 274,961 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Quinoline' |
| 281,444 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N"],"a… | rdkit_post_consensus from 'c1ccc2ncccc2c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,368 | strip_catalogue_altlabels | altLabel | [{"@value":"Chinolin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"Chinolin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | Removed 2 catalogue altLabel value(s): 'B 500' (grade code), 'NSC 3396' (registry code) |
| 342,739 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7c11e470-05b0-… | associations resolved on the elementary layer |
| 389,270 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N"],"a… | typed the way the ontology types it |
| 396,344 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1554374006150000/5458 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v0 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v1 |
| ef:activity/change/20260821T1554374006150000/5459 | name | ef:agent/bootstrap_labels | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v1 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v2 |
| ef:activity/change/20260821T1554374006150000/5460 | synonyms | ef:agent/bootstrap_labels | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v2 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v3 |
| ef:activity/change/20260821T1554374006150000/123482 | context | ef:agent/default_context_mapping | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v3 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v4 |
| ef:activity/change/20260821T1554374006150000/123483 | context_iri | ef:agent/default_context_mapping | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v4 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v5 |
| ef:activity/change/20260821T1554374006150000/215161 | unit_iri | ef:agent/unit_normalization | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v5 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v6 |
| ef:activity/change/20260821T1554374006150000/222359 | prefLabel | ef:agent/normalize_name_case | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v6 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v7 |
| ef:activity/change/20260821T1554374006150000/232425 | properties | ef:agent/enrich_references | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v7 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v8 |
| ef:activity/change/20260821T1554374006150000/232426 | skos_definition | ef:agent/enrich_references | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v8 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v9 |
| ef:activity/change/20260821T1554374006150000/232427 | references | ef:agent/enrich_references | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v9 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v10 |
| ef:activity/change/20260821T1554374006150000/249822 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v10 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v11 |
| ef:activity/change/20260821T1554374006150000/255067 | altLabel | ef:agent/chebi_altlabels | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v11 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v12 |
| ef:activity/change/20260821T1554374006150000/271266 | altLabel | ef:agent/consensus_match | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v12 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v13 |
| ef:activity/change/20260821T1554374006150000/271267 | cas_match_labels | ef:agent/consensus_match | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v13 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v14 |
| ef:activity/change/20260821T1554374006150000/274961 | properties | ef:agent/opsin_iupac | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v14 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v15 |
| ef:activity/change/20260821T1554374006150000/281444 | properties | ef:agent/rdkit_post_consensus | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v15 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v16 |
| ef:activity/change/20260821T1554374006150000/288368 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v16 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v17 |
| ef:activity/change/20260821T1554374006150000/342739 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v17 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v18 |
| ef:activity/change/20260821T1554374006150000/389270 | properties | ef:agent/normalise_property_values | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v18 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v19 |
| ef:activity/change/20260821T1554374006150000/396344 | types | ef:agent/link_flows_to_their_substance | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v19 | ef:flow/7c11e470-05b0-4129-917b-a38e4f16cccb/v20 |