Isoquinoline
Everything that changed this flow. Back to the flow
ed14aec2-081b-4c29-bf14-b468586316fe
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 3395' (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=isoquinoline||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'119-65-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8276c817b83484dc: {'119-65-3': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['119-65-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16092']; candidate_pubchem_cids=[8405, 21574365]; selected_pubchem_cids=[8405]; 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 |
|---|---|---|---|---|---|
| 17,973 | bootstrap_labels | prefLabel | — | [{"@value":"isoquinoline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 17,974 | bootstrap_labels | name | isoquinoline | — | Purged legacy name field to enforce prefLabel usage |
| 17,975 | bootstrap_labels | synonyms | [".beta.-Quinoline","2-Azanaphthalene","2-Benzazine","3,4-Benzopyridine","AC-907/25014235","AC1L1QXE","AKOS000119148","… | [] | Removed legacy synonyms field in favor of structured labels |
| 191,558 | 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 |
| 191,559 | 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 |
| 219,225 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,198 | normalize_name_case | prefLabel | [{"@value":"isoquinoline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Isoquinoline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,016 | 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) |
| 244,017 | enrich_references | skos_definition | — | [{"@value":"An ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene… | Merged ChEBI/PubChem definitions into skos:definition |
| 244,018 | enrich_references | references | [] | [{"@id":"gmelin:3676","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['119-65-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16092']; candidate_pubchem_cids=[8405, 21574365]; selected_pubchem_cids=[8405]; 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 |
| 253,168 | 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=NC=CC2=C1'; added: monoisotopic_mass |
| 256,749 | chebi_altlabels | altLabel | [] | [{"@value":"2-Benzazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,217 | consensus_match | altLabel | [{"@value":"2-Benzazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"2-Benzazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | group_key=isoquinoline||dimension=Environmental > media=Air > strata=Unknown; cas=119-65-3; added Common Chemistry CAS names as altLabel: 2-Azanaphthalene, Benzopyridine, NSC 3395, β-Quinoline; object_uuid=fo-8276c817b83484dc |
| 268,218 | consensus_match | cas_match_labels | — | {"119-65-3":"exactMatch"} | group_key=isoquinoline||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'119-65-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8276c817b83484dc: {'119-65-3': 'exactMatch'} |
| 278,374 | 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 'Isoquinoline' |
| 285,132 | 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 'c1ccc2cnccc2c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,881 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Benzazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"2-Benzazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Removed 1 catalogue altLabel value(s): 'NSC 3395' (registry code) |
| 376,810 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ed14aec2-081b-… | associations resolved on the elementary layer |
| 392,739 | 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 |
| 401,351 | 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/20260822T0600486828500000/17973 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v0 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v1 |
| ef:activity/change/20260822T0600486828500000/17974 | name | ef:agent/bootstrap_labels | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v1 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v2 |
| ef:activity/change/20260822T0600486828500000/17975 | synonyms | ef:agent/bootstrap_labels | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v2 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v3 |
| ef:activity/change/20260822T0600486828500000/191558 | context | ef:agent/default_context_mapping | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v3 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v4 |
| ef:activity/change/20260822T0600486828500000/191559 | context_iri | ef:agent/default_context_mapping | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v4 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v5 |
| ef:activity/change/20260822T0600486828500000/219225 | unit_iri | ef:agent/unit_normalization | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v5 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v6 |
| ef:activity/change/20260822T0600486828500000/225198 | prefLabel | ef:agent/normalize_name_case | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v6 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v7 |
| ef:activity/change/20260822T0600486828500000/244016 | properties | ef:agent/enrich_references | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v7 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v8 |
| ef:activity/change/20260822T0600486828500000/244017 | skos_definition | ef:agent/enrich_references | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v8 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v9 |
| ef:activity/change/20260822T0600486828500000/244018 | references | ef:agent/enrich_references | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v9 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v10 |
| ef:activity/change/20260822T0600486828500000/253168 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v10 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v11 |
| ef:activity/change/20260822T0600486828500000/256749 | altLabel | ef:agent/chebi_altlabels | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v11 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v12 |
| ef:activity/change/20260822T0600486828500000/268217 | altLabel | ef:agent/consensus_match | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v12 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v13 |
| ef:activity/change/20260822T0600486828500000/268218 | cas_match_labels | ef:agent/consensus_match | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v13 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v14 |
| ef:activity/change/20260822T0600486828500000/278374 | properties | ef:agent/opsin_iupac | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v14 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v15 |
| ef:activity/change/20260822T0600486828500000/285132 | properties | ef:agent/rdkit_post_consensus | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v15 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v16 |
| ef:activity/change/20260822T0600486828500000/290881 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v16 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v17 |
| ef:activity/change/20260822T0600486828500000/376810 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v17 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v18 |
| ef:activity/change/20260822T0600486828500000/392739 | properties | ef:agent/normalise_property_values | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v18 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v19 |
| ef:activity/change/20260822T0600486828500000/401351 | types | ef:agent/link_flows_to_their_substance | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v19 | ef:flow/ed14aec2-081b-4c29-bf14-b468586316fe/v20 |