Butanone Oxime
Everything that changed this flow. Back to the flow
d04712bc-d600-447f-9415-da7a879487f1
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'KL 841' (grade code), 'NSC 442' (registry code), 'NSC 65465' (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=butanoneoxime||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'96-29-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4b9d7e5f0c354ac7: {'96-29-7': '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=['96-29-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[7292, 225515, 5324275, 5324276]; selected_pubchem_cids=[7292]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,042 | bootstrap_labels | prefLabel | — | [{"@value":"butanone oxime","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 1,043 | bootstrap_labels | name | butanone oxime | — | Purged legacy name field to enforce prefLabel usage |
| 25,207 | bootstrap_labels | synonyms | ["2-butanoneoxime","butanoneoxime","ethylmethylketoneoxime","ethylmethylketoxime","2-butanone, oxime","2-butanone oxime… | [] | Removed legacy synonyms field in favor of structured labels |
| 173,186 | 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 |
| 173,187 | 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 |
| 213,682 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,335 | normalize_name_case | prefLabel | [{"@value":"butanone oxime","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Butanone Oxime","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,171 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,172 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,173 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.002.270","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['96-29-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[7292, 225515, 5324275, 5324276]; selected_pubchem_cids=[7292]; 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 |
| 248,599 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO"],"… | rdkit_pre_consensus from 'CCC(=NO)C'; added: molecular_mass, monoisotopic_mass |
| 264,566 | consensus_match | altLabel | [] | [{"@value":"2-Butanone, oxime","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | group_key=butanoneoxime||dimension=Environmental > media=Water > water_body=Long-term; cas=96-29-7; added Common Chemistry CAS names as altLabel: 2-Butanone, oxime, 2-Butoxime, Aron M 1, Borchinox M 2, Butoxime, Ethyl methyl ketone oxime, Ethyl methyl ketoxime, Exkin 2, Exkin II, Hiaron M 1, KL 841, MEK-oxime, MEKO, MSDS, Mekor 70, Methyl ethyl ketone oxime, Methyl ethyl ketoxime, NSC 442, NSC 65465, Skino 2, Troykyd AntiSkin B; object_uuid=fo-4b9d7e5f0c354ac7 |
| 264,567 | consensus_match | cas_match_labels | — | {"96-29-7":"exactMatch"} | group_key=butanoneoxime||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'96-29-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4b9d7e5f0c354ac7: {'96-29-7': 'exactMatch'} |
| 273,722 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Butanone Oxime' |
| 280,096 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO"],"… | rdkit_post_consensus from 'CCC(C)=NO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,457 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Butanone, oxime","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | [{"@value":"2-Butanone, oxime","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | Removed 3 catalogue altLabel value(s): 'KL 841' (grade code), 'NSC 442' (registry code), 'NSC 65465' (registry code) |
| 367,610 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d04712bc-d600-… | associations resolved on the elementary layer |
| 387,995 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO"],"… | typed the way the ontology types it |
| 394,569 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260820T1812399309960000/1042 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v0 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v1 |
| ef:activity/change/20260820T1812399309960000/1043 | name | ef:agent/bootstrap_labels | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v1 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v2 |
| ef:activity/change/20260820T1812399309960000/25207 | synonyms | ef:agent/bootstrap_labels | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v2 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v3 |
| ef:activity/change/20260820T1812399309960000/173186 | context | ef:agent/default_context_mapping | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v3 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v4 |
| ef:activity/change/20260820T1812399309960000/173187 | context_iri | ef:agent/default_context_mapping | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v4 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v5 |
| ef:activity/change/20260820T1812399309960000/213682 | unit_iri | ef:agent/unit_normalization | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v5 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v6 |
| ef:activity/change/20260820T1812399309960000/221335 | prefLabel | ef:agent/normalize_name_case | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v6 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v7 |
| ef:activity/change/20260820T1812399309960000/228171 | properties | ef:agent/enrich_references | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v7 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v8 |
| ef:activity/change/20260820T1812399309960000/228172 | skos_definition | ef:agent/enrich_references | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v8 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v9 |
| ef:activity/change/20260820T1812399309960000/228173 | references | ef:agent/enrich_references | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v9 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v10 |
| ef:activity/change/20260820T1812399309960000/248599 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v10 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v11 |
| ef:activity/change/20260820T1812399309960000/264566 | altLabel | ef:agent/consensus_match | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v11 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v12 |
| ef:activity/change/20260820T1812399309960000/264567 | cas_match_labels | ef:agent/consensus_match | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v12 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v13 |
| ef:activity/change/20260820T1812399309960000/273722 | properties | ef:agent/opsin_iupac | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v13 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v14 |
| ef:activity/change/20260820T1812399309960000/280096 | properties | ef:agent/rdkit_post_consensus | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v14 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v15 |
| ef:activity/change/20260820T1812399309960000/287457 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v15 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v16 |
| ef:activity/change/20260820T1812399309960000/367610 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v16 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v17 |
| ef:activity/change/20260820T1812399309960000/387995 | properties | ef:agent/normalise_property_values | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v17 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v18 |
| ef:activity/change/20260820T1812399309960000/394569 | types | ef:agent/link_flows_to_their_substance | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v18 | ef:flow/d04712bc-d600-447f-9415-da7a879487f1/v19 |