Pinacolin
Everything that changed this flow. Back to the flow
3787a240-ff65-4bd0-82dc-6fb74c355a83
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 935' (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=pinacolin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-97-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cae485a48586063e: {'75-97-8': '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 air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['75-97-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_197349']; candidate_pubchem_cids=[6416, 242699, 645030, 12468309]; selected_pubchem_cids=[6416]; 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 |
|---|---|---|---|---|---|
| 21,245 | bootstrap_labels | prefLabel | — | [{"@value":"pinacolin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | Bootstrapped prefLabel from legacy name field |
| 21,246 | bootstrap_labels | name | pinacolin | — | Purged legacy name field to enforce prefLabel usage |
| 21,247 | bootstrap_labels | synonyms | ["3,3-dimethylbutanone","3,3-dimethyl-2-butanone","3,3-dimethylbutan-2-on","3,3-dimethylbutan-2-one","1,1,1-Trimethylac… | [] | Removed legacy synonyms field in favor of structured labels |
| 73,586 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 73,587 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 220,173 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,902 | normalize_name_case | prefLabel | [{"@value":"pinacolin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | [{"@value":"Pinacolin","@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) |
| 246,662 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,663 | enrich_references | skos_definition | — | [{"@value":"A methyl ketone that is butane substituted by an oxo group at position 2 and two methyl groups at position… | Merged ChEBI/PubChem definitions into skos:definition |
| 246,664 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.165C","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['75-97-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_197349']; candidate_pubchem_cids=[6416, 242699, 645030, 12468309]; selected_pubchem_cids=[6416]; 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 |
| 253,940 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | rdkit_pre_consensus from 'CC(=O)C(C)(C)C'; added: monoisotopic_mass |
| 257,072 | chebi_altlabels | altLabel | [] | [{"@value":"1,1,1-trimethylacetone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,755 | consensus_match | altLabel | [{"@value":"1,1,1-trimethylacetone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1,1,1-trimethylacetone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | group_key=pinacolin||dimension=Environmental > media=Air > indoor=Unknown; cas=75-97-8; added Common Chemistry CAS names as altLabel: 2-Butanone, 3,3-dimethyl-, NSC 935; object_uuid=fo-cae485a48586063e |
| 270,756 | consensus_match | cas_match_labels | — | {"75-97-8":"exactMatch"} | group_key=pinacolin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-97-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cae485a48586063e: {'75-97-8': 'exactMatch'} |
| 279,130 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1,1-trimethylacetone' |
| 285,983 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | rdkit_post_consensus from 'CC(=O)C(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,439 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,1-trimethylacetone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1,1,1-trimethylacetone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Removed 1 catalogue altLabel value(s): 'NSC 935' (registry code) |
| 317,809 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3787a240-ff65-… | associations resolved on the elementary layer |
| 393,521 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | typed the way the ontology types it |
| 402,542 | 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/20260821T1554374006150000/21245 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v0 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v1 |
| ef:activity/change/20260821T1554374006150000/21246 | name | ef:agent/bootstrap_labels | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v1 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v2 |
| ef:activity/change/20260821T1554374006150000/21247 | synonyms | ef:agent/bootstrap_labels | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v2 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v3 |
| ef:activity/change/20260821T1554374006150000/73586 | context | ef:agent/default_context_mapping | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v3 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v4 |
| ef:activity/change/20260821T1554374006150000/73587 | context_iri | ef:agent/default_context_mapping | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v4 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v5 |
| ef:activity/change/20260821T1554374006150000/220173 | unit_iri | ef:agent/unit_normalization | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v5 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v6 |
| ef:activity/change/20260821T1554374006150000/225902 | prefLabel | ef:agent/normalize_name_case | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v6 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v7 |
| ef:activity/change/20260821T1554374006150000/246662 | properties | ef:agent/enrich_references | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v7 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v8 |
| ef:activity/change/20260821T1554374006150000/246663 | skos_definition | ef:agent/enrich_references | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v8 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v9 |
| ef:activity/change/20260821T1554374006150000/246664 | references | ef:agent/enrich_references | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v9 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v10 |
| ef:activity/change/20260821T1554374006150000/253940 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v10 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v11 |
| ef:activity/change/20260821T1554374006150000/257072 | altLabel | ef:agent/chebi_altlabels | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v11 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v12 |
| ef:activity/change/20260821T1554374006150000/270755 | altLabel | ef:agent/consensus_match | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v12 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v13 |
| ef:activity/change/20260821T1554374006150000/270756 | cas_match_labels | ef:agent/consensus_match | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v13 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v14 |
| ef:activity/change/20260821T1554374006150000/279130 | properties | ef:agent/opsin_iupac | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v14 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v15 |
| ef:activity/change/20260821T1554374006150000/285983 | properties | ef:agent/rdkit_post_consensus | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v15 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v16 |
| ef:activity/change/20260821T1554374006150000/291439 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v16 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v17 |
| ef:activity/change/20260821T1554374006150000/317809 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v17 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v18 |
| ef:activity/change/20260821T1554374006150000/393521 | properties | ef:agent/normalise_property_values | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v18 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v19 |
| ef:activity/change/20260821T1554374006150000/402542 | types | ef:agent/link_flows_to_their_substance | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v19 | ef:flow/3787a240-ff65-4bd0-82dc-6fb74c355a83/v20 |