Changes

#	Step	Field	From	To	Why
23,822	bootstrap_labels	prefLabel	—	[{"@value":"Hexaconazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c…	Bootstrapped prefLabel from legacy name field
23,823	bootstrap_labels	name	Hexaconazole	—	Purged legacy name field to enforce prefLabel usage
23,824	bootstrap_labels	synonyms	["(RS)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol"]	[]	Removed legacy synonyms field in favor of structured labels
123,118	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
123,119	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
220,715	unit_normalization	unit_iri	—	https://vocab.brightway.one/units/unit/KiloGM	Unit IRI set from normalization of 'kg'
247,961	enrich_references	properties	{}	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H17Cl2N…	Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=0)
247,962	enrich_references	skos_definition	—	[{"@value":"A racemate comprising equimolar amounts of (R)- and (S)-hexaconazole. An agricultural fungicide introduced…	Merged ChEBI/PubChem definitions into skos:definition
247,963	enrich_references	references	[]	[{"@id":"https://commonchemistry.cas.org/detail?cas_rn=79983-71-4","provenance":{"prov:wasGeneratedBy":"enrich_referenc…	Added references with provenance; cas_numbers=['79983-71-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_81766']; candidate_pubchem_cids=[66461, 133112854]; selected_pubchem_cids=[]; 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
257,330	chebi_altlabels	altLabel	[]	[{"@value":"(+-)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol","@language":"en","source":{"prov:wasGenera…	Added 13 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s)
267,639	consensus_match	altLabel	[{"@value":"(+-)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol","@language":"en","source":{"prov:wasGenera…	[{"@value":"(+-)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol","@language":"en","source":{"prov:wasGenera…	group_key=hexaconazole\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=79983-71-4; added Common Chemistry CAS names as altLabel: (±)-Hexaconazole, 1<em>H</em>-1,2,4-Triazole-1-ethanol, α-butyl-α-(2,4-dichlorophenyl)-, 1<em>H</em>-1,2,4-Triazole-1-ethanol, α-butyl-α-(2,4-dichlorophenyl)-, (±)-, 2-(2,4-Dichlorophenyl)-1-(1<em>H</em>-1,2,4-triazol-1-yl)hexan-2-ol, <em>RS</em>-2-(2,4-Dichlorophenyl)-1-(1<em>H</em>-1,2,4-triazol-1-yl)hexan-2-ol, Anvil, Anvil L, Anvil Liquid, Blin Exa, Canvil, Clortriafol, Contaf 5EC, Contaf Plus, Controll, FD 4053, Flowmax 5SC, Hexaconazole Technical, Hexadhan, PC 1002, R 154523, Ranvil, Samarth, TDP, α-Butyl-α-(2,4-dichlorophenyl)-1<em>H</em>-1,2,4-triazole-1-ethanol; object_uuid=fo-4590b120d03a37f8
267,640	consensus_match	cas_match_labels	—	{"79983-71-4":"exactMatch"}	group_key=hexaconazole\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'79983-71-4': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4590b120d03a37f8: {'79983-71-4': 'exactMatch'}
279,577	opsin_iupac	properties	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H17Cl2N…	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H17Cl2N…	opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(+-)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol'
279,788	rdkit_authoritative	properties	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H17Cl2N…	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","rdfs:label":"Molecul…	rdkit_authoritative: set definitive structural data from unique InChI
286,462	rdkit_post_consensus	properties	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","rdfs:label":"Molecul…	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","rdfs:label":"Molecul…	rdkit_post_consensus from 'CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass
291,775	strip_catalogue_altlabels	altLabel	[{"@value":"(+-)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol","@language":"en","source":{"prov:wasGenera…	[{"@value":"(+-)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol","@language":"en","source":{"prov:wasGenera…	Removed 3 catalogue altLabel value(s): 'FD 4053' (grade code), 'PC 1002' (grade code), 'PP 523' (grade code)
342,577	carry_associations_onto_flows	concept_associations	[]	[{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7b7e654d-4c23-…	associations resolved on the elementary layer
393,978	normalise_property_values	properties	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","rdfs:label":"Molecul…	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","rdfs:label":"Molecul…	typed the way the ontology types it
403,286	link_flows_to_their_substance	types	—	["https://w3id.org/chemrof/NeutralMolecule"]	the substance's answer, copied onto its flow
403,287	link_flows_to_their_substance	roles	—	[{"@id":"http://purl.obolibrary.org/obo/CHEBI_33286","rdfs:label":"agrochemical","http://www.w3.org/2004/02/skos/core#d…	the substance's answer, copied onto its flow