Diethyl Phosphonate
Everything that changed this flow. Back to the flow
3c9955a7-fe1d-4576-b348-27d33bec9bbc
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 2665' (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=diethylphosphonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'762-04-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-83dbf98e87fa0625: {'762-04-9': '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, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['762-04-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_41962']; candidate_pubchem_cids=[12977, 3780918, 6327654]; selected_pubchem_cids=[6327654]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 3,239 | bootstrap_labels | prefLabel | — | [{"@value":"diethyl phosphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 3,240 | bootstrap_labels | name | diethyl phosphonate | — | Purged legacy name field to enforce prefLabel usage |
| 3,241 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 76,582 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 76,583 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 214,420 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,833 | normalize_name_case | prefLabel | [{"@value":"diethyl phosphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"Diethyl Phosphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,295 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O3P+"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,296 | enrich_references | skos_definition | — | [{"@value":"A phosphonic ester that is the diethyl ester of phosphonic acid.","@language":"en","provenance":{"prov:wasG… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,297 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.729I","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['762-04-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_41962']; candidate_pubchem_cids=[12977, 3780918, 6327654]; selected_pubchem_cids=[6327654]; 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 |
| 249,219 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O3P+"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O3P+"… | rdkit_pre_consensus from 'CCO[P+](=O)OCC'; added: molecular_mass, monoisotopic_mass |
| 254,752 | chebi_altlabels | altLabel | [] | [{"@value":"Diethoxyphosphine oxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,919 | consensus_match | altLabel | [{"@value":"Diethoxyphosphine oxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"Diethoxyphosphine oxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | group_key=diethylphosphonate||dimension=Environmental > media=Air > strata=Long-term; cas=762-04-9; added Common Chemistry CAS names as altLabel: Diethyl acid phosphite, Ethyl phosphite, (EtO)<sub>2</sub>(HO)P, NSC 2665, Phosphonic acid, diethyl ester; object_uuid=fo-83dbf98e87fa0625 |
| 265,920 | consensus_match | cas_match_labels | — | {"762-04-9":"exactMatch"} | group_key=diethylphosphonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'762-04-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-83dbf98e87fa0625: {'762-04-9': 'exactMatch'} |
| 274,335 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O3P+"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O3P+"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diethyl Phosphonate' |
| 280,768 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O3P+"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O3P+"… | rdkit_post_consensus from 'CCO[PH](=O)OCC'; added: monoisotopic_mass; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass |
| 286,783 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O3P+"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O3P+"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 287,899 | strip_catalogue_altlabels | altLabel | [{"@value":"Diethoxyphosphine oxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"Diethoxyphosphine oxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Removed 1 catalogue altLabel value(s): 'NSC 2665' (registry code) |
| 319,306 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3c9955a7-fe1d-… | associations resolved on the elementary layer |
| 388,631 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O3P+"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O3P+"… | typed the way the ontology types it |
| 395,447 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260822T0600486828500000/3239 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v0 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v1 |
| ef:activity/change/20260822T0600486828500000/3240 | name | ef:agent/bootstrap_labels | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v1 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v2 |
| ef:activity/change/20260822T0600486828500000/3241 | synonyms | ef:agent/bootstrap_labels | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v2 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v3 |
| ef:activity/change/20260822T0600486828500000/76582 | context | ef:agent/default_context_mapping | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v3 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v4 |
| ef:activity/change/20260822T0600486828500000/76583 | context_iri | ef:agent/default_context_mapping | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v4 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v5 |
| ef:activity/change/20260822T0600486828500000/214420 | unit_iri | ef:agent/unit_normalization | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v5 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v6 |
| ef:activity/change/20260822T0600486828500000/221833 | prefLabel | ef:agent/normalize_name_case | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v6 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v7 |
| ef:activity/change/20260822T0600486828500000/230295 | properties | ef:agent/enrich_references | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v7 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v8 |
| ef:activity/change/20260822T0600486828500000/230296 | skos_definition | ef:agent/enrich_references | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v8 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v9 |
| ef:activity/change/20260822T0600486828500000/230297 | references | ef:agent/enrich_references | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v9 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v10 |
| ef:activity/change/20260822T0600486828500000/249219 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v10 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v11 |
| ef:activity/change/20260822T0600486828500000/254752 | altLabel | ef:agent/chebi_altlabels | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v11 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v12 |
| ef:activity/change/20260822T0600486828500000/265919 | altLabel | ef:agent/consensus_match | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v12 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v13 |
| ef:activity/change/20260822T0600486828500000/265920 | cas_match_labels | ef:agent/consensus_match | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v13 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v14 |
| ef:activity/change/20260822T0600486828500000/274335 | properties | ef:agent/opsin_iupac | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v14 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v15 |
| ef:activity/change/20260822T0600486828500000/280768 | properties | ef:agent/rdkit_post_consensus | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v15 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v16 |
| ef:activity/change/20260822T0600486828500000/286783 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v16 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v17 |
| ef:activity/change/20260822T0600486828500000/287899 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v17 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v18 |
| ef:activity/change/20260822T0600486828500000/319306 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v18 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v19 |
| ef:activity/change/20260822T0600486828500000/388631 | properties | ef:agent/normalise_property_values | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v19 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v20 |
| ef:activity/change/20260822T0600486828500000/395447 | types | ef:agent/link_flows_to_their_substance | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v20 | ef:flow/3c9955a7-fe1d-4576-b348-27d33bec9bbc/v21 |