Sodium Phenoxyacetate
Everything that changed this flow. Back to the flow
bd906407-18b1-4f8a-bbde-371c5189c98d
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=sodiumphenoxyacetate||dimension=Environmental > media=Water > water_body=Unknown; cas=3598-16-1; added Common Chemistry CAS names as altLabel: Acetic acid, 2-phenoxy-, sodium salt (1:1), Acetic acid, phenoxy-, sodium salt; object_uuid=fo-008fa89033157faf |
| cas_match_labels | 1 | consensus_match | group_key=sodiumphenoxyacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3598-16-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-008fa89033157faf: {'3598-16-1': '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 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=['3598-16-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[19188, 23687423, 67302744]; selected_pubchem_cids=[67302744]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,239 | bootstrap_labels | prefLabel | — | [{"@value":"sodium phenoxyacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 18,240 | bootstrap_labels | name | sodium phenoxyacetate | — | Purged legacy name field to enforce prefLabel usage |
| 18,241 | bootstrap_labels | synonyms | ["sodiumphenoxyacetatehemihydrate","sodium2-phenoxyacetate","sodiumphenoxyacetate","sodium phenoxyacetate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 162,190 | 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) |
| 162,191 | 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) |
| 219,305 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,252 | normalize_name_case | prefLabel | [{"@value":"sodium phenoxyacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Sodium Phenoxyacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,244 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8NaO3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,245 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,246 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=3598-16-1","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['3598-16-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[19188, 23687423, 67302744]; selected_pubchem_cids=[67302744]; 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 |
| 253,234 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8NaO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8NaO3"]… | rdkit_pre_consensus from 'C1=CC=C(C=C1)OCC(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 272,013 | consensus_match | altLabel | [] | [{"@value":"Acetic acid, 2-phenoxy-, sodium salt (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | group_key=sodiumphenoxyacetate||dimension=Environmental > media=Water > water_body=Unknown; cas=3598-16-1; added Common Chemistry CAS names as altLabel: Acetic acid, 2-phenoxy-, sodium salt (1:1), Acetic acid, phenoxy-, sodium salt; object_uuid=fo-008fa89033157faf |
| 272,014 | consensus_match | cas_match_labels | — | {"3598-16-1":"exactMatch"} | group_key=sodiumphenoxyacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3598-16-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-008fa89033157faf: {'3598-16-1': 'exactMatch'} |
| 278,444 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8NaO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8NaO3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium Phenoxyacetate' |
| 285,206 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8NaO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NaO3",… | rdkit_post_consensus from 'O=C([O-])COc1ccccc1.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,123 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NaO3",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NaO3",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 362,120 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/bd906407-18b1-… | associations resolved on the elementary layer |
| 401,456 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1554374006150000/18239 | prefLabel | ef:agent/bootstrap_labels | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v0 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v1 |
| ef:activity/change/20260821T1554374006150000/18240 | name | ef:agent/bootstrap_labels | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v1 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v2 |
| ef:activity/change/20260821T1554374006150000/18241 | synonyms | ef:agent/bootstrap_labels | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v2 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v3 |
| ef:activity/change/20260821T1554374006150000/162190 | context | ef:agent/default_context_mapping | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v3 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v4 |
| ef:activity/change/20260821T1554374006150000/162191 | context_iri | ef:agent/default_context_mapping | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v4 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v5 |
| ef:activity/change/20260821T1554374006150000/219305 | unit_iri | ef:agent/unit_normalization | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v5 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v6 |
| ef:activity/change/20260821T1554374006150000/225252 | prefLabel | ef:agent/normalize_name_case | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v6 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v7 |
| ef:activity/change/20260821T1554374006150000/244244 | properties | ef:agent/enrich_references | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v7 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v8 |
| ef:activity/change/20260821T1554374006150000/244245 | skos_definition | ef:agent/enrich_references | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v8 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v9 |
| ef:activity/change/20260821T1554374006150000/244246 | references | ef:agent/enrich_references | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v9 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v10 |
| ef:activity/change/20260821T1554374006150000/253234 | properties | ef:agent/rdkit_pre_consensus | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v10 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v11 |
| ef:activity/change/20260821T1554374006150000/272013 | altLabel | ef:agent/consensus_match | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v11 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v12 |
| ef:activity/change/20260821T1554374006150000/272014 | cas_match_labels | ef:agent/consensus_match | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v12 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v13 |
| ef:activity/change/20260821T1554374006150000/278444 | properties | ef:agent/opsin_iupac | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v13 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v14 |
| ef:activity/change/20260821T1554374006150000/285206 | properties | ef:agent/rdkit_post_consensus | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v14 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v15 |
| ef:activity/change/20260821T1554374006150000/287123 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v15 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v16 |
| ef:activity/change/20260821T1554374006150000/362120 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v16 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v17 |
| ef:activity/change/20260821T1554374006150000/401456 | types | ef:agent/link_flows_to_their_substance | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v17 | ef:flow/bd906407-18b1-4f8a-bbde-371c5189c98d/v18 |