Phthalazine
Everything that changed this flow. Back to the flow
59f88ba2-8895-4f58-8330-33ac0f483c31
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): 'NSC 62484' (registry code), 'NSC 63241' (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=phthalazine||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'253-52-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a7da4c29713256: {'253-52-1': '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=['253-52-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_36597']; candidate_pubchem_cids=[9207, 556565, 68295433]; selected_pubchem_cids=[9207]; 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 |
|---|---|---|---|---|---|
| 9,455 | bootstrap_labels | prefLabel | — | [{"@value":"phthalazine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Bootstrapped prefLabel from legacy name field |
| 9,456 | bootstrap_labels | name | phthalazine | — | Purged legacy name field to enforce prefLabel usage |
| 9,457 | bootstrap_labels | synonyms | [".beta.-Phenodiazine","2,3-Benzodiazine","2,3-Diazanaphthalene","4,5-Benzopyridazine","AC1L1SK7","AC1Q4YJ8","Benzo(d)p… | [] | Removed legacy synonyms field in favor of structured labels |
| 103,268 | 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 |
| 103,269 | 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 |
| 216,483 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,314 | normalize_name_case | prefLabel | [{"@value":"phthalazine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | [{"@value":"Phthalazine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,221 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 236,222 | enrich_references | skos_definition | — | [{"@value":"An azaarene that is the 2,3-diaza analogue of naphthalene. The parent of the class of phthalazines.","@lang… | Merged ChEBI/PubChem definitions into skos:definition |
| 236,223 | enrich_references | references | [] | [{"@id":"gmelin:218064","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['253-52-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_36597']; candidate_pubchem_cids=[9207, 556565, 68295433]; selected_pubchem_cids=[9207]; 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 |
| 250,914 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2"],"… | rdkit_pre_consensus from 'C1=CC=C2C=NN=CC2=C1'; added: monoisotopic_mass |
| 255,739 | chebi_altlabels | altLabel | [] | [{"@value":"2,3-benzodiazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,733 | consensus_match | altLabel | [{"@value":"2,3-benzodiazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | [{"@value":"2,3-benzodiazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | group_key=phthalazine||dimension=Environmental > media=Ground > geography=Unknown; cas=253-52-1; added Common Chemistry CAS names as altLabel: NSC 62484, NSC 63241, β-Phenodiazine; object_uuid=fo-94a7da4c29713256 |
| 270,734 | consensus_match | cas_match_labels | — | {"253-52-1":"exactMatch"} | group_key=phthalazine||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'253-52-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a7da4c29713256: {'253-52-1': 'exactMatch'} |
| 276,105 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phthalazine' |
| 282,677 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2"],"… | rdkit_post_consensus from 'c1ccc2cnncc2c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,235 | strip_catalogue_altlabels | altLabel | [{"@value":"2,3-benzodiazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | [{"@value":"2,3-benzodiazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | Removed 2 catalogue altLabel value(s): 'NSC 62484' (registry code), 'NSC 63241' (registry code) |
| 332,631 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/59f88ba2-8895-… | associations resolved on the elementary layer |
| 390,448 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2"],"… | typed the way the ontology types it |
| 398,061 | 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/20260821T1554374006150000/9455 | prefLabel | ef:agent/bootstrap_labels | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v0 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v1 |
| ef:activity/change/20260821T1554374006150000/9456 | name | ef:agent/bootstrap_labels | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v1 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v2 |
| ef:activity/change/20260821T1554374006150000/9457 | synonyms | ef:agent/bootstrap_labels | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v2 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v3 |
| ef:activity/change/20260821T1554374006150000/103268 | context | ef:agent/default_context_mapping | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v3 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v4 |
| ef:activity/change/20260821T1554374006150000/103269 | context_iri | ef:agent/default_context_mapping | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v4 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v5 |
| ef:activity/change/20260821T1554374006150000/216483 | unit_iri | ef:agent/unit_normalization | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v5 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v6 |
| ef:activity/change/20260821T1554374006150000/223314 | prefLabel | ef:agent/normalize_name_case | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v6 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v7 |
| ef:activity/change/20260821T1554374006150000/236221 | properties | ef:agent/enrich_references | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v7 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v8 |
| ef:activity/change/20260821T1554374006150000/236222 | skos_definition | ef:agent/enrich_references | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v8 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v9 |
| ef:activity/change/20260821T1554374006150000/236223 | references | ef:agent/enrich_references | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v9 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v10 |
| ef:activity/change/20260821T1554374006150000/250914 | properties | ef:agent/rdkit_pre_consensus | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v10 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v11 |
| ef:activity/change/20260821T1554374006150000/255739 | altLabel | ef:agent/chebi_altlabels | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v11 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v12 |
| ef:activity/change/20260821T1554374006150000/270733 | altLabel | ef:agent/consensus_match | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v12 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v13 |
| ef:activity/change/20260821T1554374006150000/270734 | cas_match_labels | ef:agent/consensus_match | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v13 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v14 |
| ef:activity/change/20260821T1554374006150000/276105 | properties | ef:agent/opsin_iupac | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v14 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v15 |
| ef:activity/change/20260821T1554374006150000/282677 | properties | ef:agent/rdkit_post_consensus | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v15 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v16 |
| ef:activity/change/20260821T1554374006150000/289235 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v16 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v17 |
| ef:activity/change/20260821T1554374006150000/332631 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v17 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v18 |
| ef:activity/change/20260821T1554374006150000/390448 | properties | ef:agent/normalise_property_values | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v18 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v19 |
| ef:activity/change/20260821T1554374006150000/398061 | types | ef:agent/link_flows_to_their_substance | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v19 | ef:flow/59f88ba2-8895-4f58-8330-33ac0f483c31/v20 |