Butonate
Everything that changed this flow. Back to the flow
2f3020f0-1c86-4269-b197-52aed964df0e
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 4 catalogue altLabel value(s): 'ENT 20852' (grade code), 'F 139' (grade code), 'NSC 17872' (registry code), 'T 113' (grade 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=butonate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'126-22-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7abe693d6d6740ed: {'126-22-7': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['126-22-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82106']; candidate_pubchem_cids=[31343]; selected_pubchem_cids=[31343]; 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 |
|---|---|---|---|---|---|
| 10,400 | bootstrap_labels | prefLabel | — | [{"@value":"butonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Bootstrapped prefLabel from legacy name field |
| 10,401 | bootstrap_labels | name | butonate | — | Purged legacy name field to enforce prefLabel usage |
| 10,402 | bootstrap_labels | synonyms | ["(2,2,2-trichloro-1-dimethoxyphosphorylethyl) butanoate","0, 0-Dimethyl 2,2,2-trichloro-1-(n-butyryloxy)ethylphosphona… | [] | Removed legacy synonyms field in favor of structured labels |
| 68,042 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 68,043 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 216,791 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,527 | normalize_name_case | prefLabel | [{"@value":"butonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | [{"@value":"Butonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,090 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14Cl3O5… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 237,091 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,092 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.551D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['126-22-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82106']; candidate_pubchem_cids=[31343]; selected_pubchem_cids=[31343]; 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 |
| 251,161 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14Cl3O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14Cl3O5… | rdkit_pre_consensus from 'CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC'; added: monoisotopic_mass |
| 264,582 | consensus_match | altLabel | [] | [{"@value":"<em>O</em>,<em>O</em>-Dimethyl 2,2,2-trichloro-1-(<em>n</em>-butyryloxy)ethylphosphonate","@language":"en",… | group_key=butonate||dimension=Environmental > media=Water > water_body=Ocean; cas=126-22-7; added Common Chemistry CAS names as altLabel: <em>O</em>,<em>O</em>-Dimethyl 2,2,2-trichloro-1-(<em>n</em>-butyryloxy)ethylphosphonate, <em>O</em>,<em>O</em>-Dimethyl-(1-butyryloxy-2,2,2-trichloroethyl) phosphonate, Butanoic acid, 2,2,2-trichloro-1-(dimethoxyphosphinyl)ethyl ester, Butyric acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate, Dimethoxy-2,2,2-trichloro-1-<em>n</em>-butyryloxy-ethylphosphine oxide, Dimethyl 2,2,2-trichloro-1-<em>n</em>-butyryloxyethylphosphonate, ENT 20852, F 139, Fekama AT 50, NSC 17872, Pedix PE 50, Pedix-50, Pedix-butonate, T 113, Tribufon; object_uuid=fo-7abe693d6d6740ed |
| 264,583 | consensus_match | cas_match_labels | — | {"126-22-7":"exactMatch"} | group_key=butonate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'126-22-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7abe693d6d6740ed: {'126-22-7': 'exactMatch'} |
| 276,341 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14Cl3O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14Cl3O5… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Butanoic acid, 2,2,2-trichloro-1-(dimethoxyphosphinyl)ethyl ester' |
| 282,941 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14Cl3O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14Cl3O5… | rdkit_post_consensus from 'CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,418 | strip_catalogue_altlabels | altLabel | [{"@value":"<em>O</em>,<em>O</em>-Dimethyl 2,2,2-trichloro-1-(<em>n</em>-butyryloxy)ethylphosphonate","@language":"en",… | [{"@value":"O,O-Dimethyl 2,2,2-trichloro-1-(n-butyryloxy)ethylphosphonate","@language":"en","source":{"prov:wasGenerate… | Removed 4 catalogue altLabel value(s): 'ENT 20852' (grade code), 'F 139' (grade code), 'NSC 17872' (registry code), 'T 113' (grade code) |
| 315,038 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2f3020f0-1c86-… | associations resolved on the elementary layer |
| 390,693 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14Cl3O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14Cl3O5… | typed the way the ontology types it |
| 398,430 | 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/20260821T1554374006150000/10400 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v0 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v1 |
| ef:activity/change/20260821T1554374006150000/10401 | name | ef:agent/bootstrap_labels | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v1 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v2 |
| ef:activity/change/20260821T1554374006150000/10402 | synonyms | ef:agent/bootstrap_labels | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v2 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v3 |
| ef:activity/change/20260821T1554374006150000/68042 | context | ef:agent/default_context_mapping | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v3 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v4 |
| ef:activity/change/20260821T1554374006150000/68043 | context_iri | ef:agent/default_context_mapping | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v4 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v5 |
| ef:activity/change/20260821T1554374006150000/216791 | unit_iri | ef:agent/unit_normalization | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v5 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v6 |
| ef:activity/change/20260821T1554374006150000/223527 | prefLabel | ef:agent/normalize_name_case | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v6 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v7 |
| ef:activity/change/20260821T1554374006150000/237090 | properties | ef:agent/enrich_references | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v7 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v8 |
| ef:activity/change/20260821T1554374006150000/237091 | skos_definition | ef:agent/enrich_references | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v8 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v9 |
| ef:activity/change/20260821T1554374006150000/237092 | references | ef:agent/enrich_references | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v9 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v10 |
| ef:activity/change/20260821T1554374006150000/251161 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v10 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v11 |
| ef:activity/change/20260821T1554374006150000/264582 | altLabel | ef:agent/consensus_match | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v11 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v12 |
| ef:activity/change/20260821T1554374006150000/264583 | cas_match_labels | ef:agent/consensus_match | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v12 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v13 |
| ef:activity/change/20260821T1554374006150000/276341 | properties | ef:agent/opsin_iupac | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v13 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v14 |
| ef:activity/change/20260821T1554374006150000/282941 | properties | ef:agent/rdkit_post_consensus | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v14 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v15 |
| ef:activity/change/20260821T1554374006150000/289418 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v15 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v16 |
| ef:activity/change/20260821T1554374006150000/315038 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v16 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v17 |
| ef:activity/change/20260821T1554374006150000/390693 | properties | ef:agent/normalise_property_values | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v17 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v18 |
| ef:activity/change/20260821T1554374006150000/398430 | types | ef:agent/link_flows_to_their_substance | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v18 | ef:flow/2f3020f0-1c86-4269-b197-52aed964df0e/v19 |