Phosphorothioic Acid, O,o-bis(2-methylpropyl) Ester, Sodium 1:1)
Everything that changed this flow. Back to the flow
d303a746-f95f-4479-bd80-5d8d03732bef
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=phosphorothioicacid,o,o-bis(2-methylpropyl)ester,sodium1:1)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'53378-52-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1eed36d0b223135c: {'53378-52-2': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['53378-52-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[23681713]; selected_pubchem_cids=[23681713]; 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 |
|---|---|---|---|---|---|
| 21,339 | bootstrap_labels | prefLabel | — | [{"@value":"phosphorothioic acid, o,o-bis(2-methylpropyl) ester, sodium 1:1)","@language":"en","source":{"prov:wasGener… | Bootstrapped prefLabel from legacy name field |
| 21,340 | bootstrap_labels | name | phosphorothioic acid, o,o-bis(2-methylpropyl) ester, sodium 1:1) | — | Purged legacy name field to enforce prefLabel usage |
| 21,341 | bootstrap_labels | synonyms | ["organic","phosphorothioicacid,o,o-bis(2-methylpropyl)ester,sodiumsalt(1:1)","aero6697promoter"] | [] | Removed legacy synonyms field in favor of structured labels |
| 174,776 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 174,777 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 220,195 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,923 | normalize_name_case | prefLabel | [{"@value":"phosphorothioic acid, o,o-bis(2-methylpropyl) ester, sodium 1:1)","@language":"en","source":{"prov:wasGener… | [{"@value":"Phosphorothioic Acid, O,o-bis(2-methylpropyl) Ester, Sodium 1:1)","@language":"en","source":{"prov:wasGener… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,713 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3P… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,714 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,715 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.108.445","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['53378-52-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[23681713]; selected_pubchem_cids=[23681713]; 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 |
| 253,955 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3P… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3P… | rdkit_pre_consensus from 'CC(C)COP(=S)([O-])OCC(C)C.[Na+]'; added: molecular_mass, monoisotopic_mass |
| 270,706 | consensus_match | altLabel | [] | [{"@value":"Isobutyl sodium phosphorothioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | group_key=phosphorothioicacid,o,o-bis(2-methylpropyl)ester,sodium1:1)||dimension=Environmental > media=Water > water_body=Surface water; cas=53378-52-2; added Common Chemistry CAS names as altLabel: Isobutyl sodium phosphorothioate, Phosphorothioic acid, <em>O</em>,<em>O</em>-bis(2-methylpropyl) ester, sodium salt, Phosphorothioic acid, <em>O</em>,<em>O</em>-bis(2-methylpropyl) ester, sodium salt (1:1); object_uuid=fo-1eed36d0b223135c |
| 270,707 | consensus_match | cas_match_labels | — | {"53378-52-2":"exactMatch"} | group_key=phosphorothioicacid,o,o-bis(2-methylpropyl)ester,sodium1:1)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'53378-52-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1eed36d0b223135c: {'53378-52-2': 'exactMatch'} |
| 279,145 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3P… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3P… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phosphorothioic acid, O,O-bis(2-methylpropyl) ester, sodium salt' |
| 285,999 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3P… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3P… | rdkit_post_consensus from 'CC(C)COP([O-])(=S)OCC(C)C.[Na+]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 293,122 | dedupe_altlabels | altLabel | [{"@value":"Isobutyl sodium phosphorothioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | [{"@value":"Isobutyl sodium phosphorothioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | Deduplicated altLabel values and removed entries matching prefLabel |
| 368,412 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d303a746-f95f-… | associations resolved on the elementary layer |
| 393,534 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3P… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3P… | typed the way the ontology types it |
| 402,569 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260821T1554374006150000/21339 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v0 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v1 |
| ef:activity/change/20260821T1554374006150000/21340 | name | ef:agent/bootstrap_labels | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v1 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v2 |
| ef:activity/change/20260821T1554374006150000/21341 | synonyms | ef:agent/bootstrap_labels | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v2 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v3 |
| ef:activity/change/20260821T1554374006150000/174776 | context | ef:agent/default_context_mapping | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v3 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v4 |
| ef:activity/change/20260821T1554374006150000/174777 | context_iri | ef:agent/default_context_mapping | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v4 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v5 |
| ef:activity/change/20260821T1554374006150000/220195 | unit_iri | ef:agent/unit_normalization | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v5 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v6 |
| ef:activity/change/20260821T1554374006150000/225923 | prefLabel | ef:agent/normalize_name_case | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v6 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v7 |
| ef:activity/change/20260821T1554374006150000/246713 | properties | ef:agent/enrich_references | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v7 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v8 |
| ef:activity/change/20260821T1554374006150000/246714 | skos_definition | ef:agent/enrich_references | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v8 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v9 |
| ef:activity/change/20260821T1554374006150000/246715 | references | ef:agent/enrich_references | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v9 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v10 |
| ef:activity/change/20260821T1554374006150000/253955 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v10 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v11 |
| ef:activity/change/20260821T1554374006150000/270706 | altLabel | ef:agent/consensus_match | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v11 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v12 |
| ef:activity/change/20260821T1554374006150000/270707 | cas_match_labels | ef:agent/consensus_match | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v12 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v13 |
| ef:activity/change/20260821T1554374006150000/279145 | properties | ef:agent/opsin_iupac | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v13 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v14 |
| ef:activity/change/20260821T1554374006150000/285999 | properties | ef:agent/rdkit_post_consensus | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v14 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v15 |
| ef:activity/change/20260821T1554374006150000/293122 | altLabel | ef:agent/dedupe_altlabels | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v15 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v16 |
| ef:activity/change/20260821T1554374006150000/368412 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v16 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v17 |
| ef:activity/change/20260821T1554374006150000/393534 | properties | ef:agent/normalise_property_values | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v17 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v18 |
| ef:activity/change/20260821T1554374006150000/402569 | types | ef:agent/link_flows_to_their_substance | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v18 | ef:flow/d303a746-f95f-4479-bd80-5d8d03732bef/v19 |