Ethyl (diethoxyphosphoryl)acetate
Everything that changed this flow. Back to the flow
ec7b0112-ceb0-4645-8724-f0856d9cacf1
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): 'JC 224' (grade code), 'NSC 13898' (registry code), 'NSC 16128' (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=ethyl(diethoxyphosphoryl)acetate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'867-13-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8c1986dfb2035a82: {'867-13-0': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['867-13-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[8146, 13345, 3614325, 21949991]; selected_pubchem_cids=[13345]; 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 |
|---|---|---|---|---|---|
| 4,004 | bootstrap_labels | prefLabel | — | [{"@value":"ethyl (diethoxyphosphoryl)acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 4,005 | bootstrap_labels | name | ethyl (diethoxyphosphoryl)acetate | — | Purged legacy name field to enforce prefLabel usage |
| 4,006 | bootstrap_labels | synonyms | ["organic","triethylphosphonoacetate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 191,272 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 191,273 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 214,678 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,011 | normalize_name_case | prefLabel | [{"@value":"ethyl (diethoxyphosphoryl)acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"Ethyl (diethoxyphosphoryl)acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,038 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17O5P"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,039 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,040 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.207E","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['867-13-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[8146, 13345, 3614325, 21949991]; selected_pubchem_cids=[13345]; 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 |
| 249,429 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17O5P"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17O5P"]… | rdkit_pre_consensus from 'CCOC(=O)CP(=O)(OCC)OCC'; added: molecular_mass, monoisotopic_mass |
| 266,813 | consensus_match | altLabel | [] | [{"@value":"(Diethoxyphosphinyl)acetic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | group_key=ethyl(diethoxyphosphoryl)acetate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=867-13-0; added Common Chemistry CAS names as altLabel: (Diethoxyphosphinyl)acetic acid ethyl ester, (Diethoxyphosphoryl)acetic acid ethyl ester, (Ethoxycarbonylmethyl)diethoxyphosphine oxide, 2-(Diethoxyphosphinyl)acetic acid ethyl ester, 2-Phosphonoacetic acid triethyl ester, Acetic acid, (diethoxyphosphinyl)-, ethyl ester, Acetic acid, 2-(diethoxyphosphinyl)-, ethyl ester, Acetic acid, phosphono-, triethyl ester, Carbethoxymethyldiethyl phosphonate, Diethyl 2-ethoxy-2-oxoethylphosphonate, Diethyl carbethoxymethylphosphonate, Diethyl ethoxycarbonylmethanephosphonate, Diethyl phosphonoacetic acid ethyl ester, Ethyl (diethoxyphosphinyl)acetate, Ethyl (diethylphosphono)acetate, Ethyl 2-(diethoxylphosphoryl)acetate, Ethyl 2-(diethoxyphosphinyl)acetate, Ethyl 2-(diethoxyphosphoryl)acetate, Ethyl 2-(diethylphosphono)acetate, Ethyl diethoxyphosphoryl acetate, Ethyl α-diethylphosphonoacetate, JC 224, NSC 13898, NSC 16128, Phosphonoacetic acid triethyl ester, Triethyl 2-phosphonoacetate, Triethyl phosphonacetate, Triethyl phosphonoacetate; object_uuid=fo-8c1986dfb2035a82 |
| 266,814 | consensus_match | cas_match_labels | — | {"867-13-0":"exactMatch"} | group_key=ethyl(diethoxyphosphoryl)acetate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'867-13-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8c1986dfb2035a82: {'867-13-0': 'exactMatch'} |
| 274,558 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17O5P"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17O5P"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethyl (diethoxyphosphoryl)acetate' |
| 281,008 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17O5P"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17O5P"]… | rdkit_post_consensus from 'CCOC(=O)CP(=O)(OCC)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,075 | strip_catalogue_altlabels | altLabel | [{"@value":"(Diethoxyphosphinyl)acetic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | [{"@value":"(Diethoxyphosphinyl)acetic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | Removed 3 catalogue altLabel value(s): 'JC 224' (grade code), 'NSC 13898' (registry code), 'NSC 16128' (registry code) |
| 376,667 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ec7b0112-ceb0-… | associations resolved on the elementary layer |
| 388,864 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17O5P"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17O5P"]… | typed the way the ontology types it |
| 395,778 | 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/20260822T0600486828500000/4004 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v0 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v1 |
| ef:activity/change/20260822T0600486828500000/4005 | name | ef:agent/bootstrap_labels | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v1 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v2 |
| ef:activity/change/20260822T0600486828500000/4006 | synonyms | ef:agent/bootstrap_labels | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v2 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v3 |
| ef:activity/change/20260822T0600486828500000/191272 | context | ef:agent/default_context_mapping | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v3 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v4 |
| ef:activity/change/20260822T0600486828500000/191273 | context_iri | ef:agent/default_context_mapping | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v4 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v5 |
| ef:activity/change/20260822T0600486828500000/214678 | unit_iri | ef:agent/unit_normalization | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v5 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v6 |
| ef:activity/change/20260822T0600486828500000/222011 | prefLabel | ef:agent/normalize_name_case | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v6 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v7 |
| ef:activity/change/20260822T0600486828500000/231038 | properties | ef:agent/enrich_references | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v7 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v8 |
| ef:activity/change/20260822T0600486828500000/231039 | skos_definition | ef:agent/enrich_references | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v8 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v9 |
| ef:activity/change/20260822T0600486828500000/231040 | references | ef:agent/enrich_references | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v9 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v10 |
| ef:activity/change/20260822T0600486828500000/249429 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v10 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v11 |
| ef:activity/change/20260822T0600486828500000/266813 | altLabel | ef:agent/consensus_match | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v11 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v12 |
| ef:activity/change/20260822T0600486828500000/266814 | cas_match_labels | ef:agent/consensus_match | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v12 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v13 |
| ef:activity/change/20260822T0600486828500000/274558 | properties | ef:agent/opsin_iupac | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v13 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v14 |
| ef:activity/change/20260822T0600486828500000/281008 | properties | ef:agent/rdkit_post_consensus | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v14 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v15 |
| ef:activity/change/20260822T0600486828500000/288075 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v15 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v16 |
| ef:activity/change/20260822T0600486828500000/376667 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v16 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v17 |
| ef:activity/change/20260822T0600486828500000/388864 | properties | ef:agent/normalise_property_values | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v17 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v18 |
| ef:activity/change/20260822T0600486828500000/395778 | types | ef:agent/link_flows_to_their_substance | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v18 | ef:flow/ec7b0112-ceb0-4645-8724-f0856d9cacf1/v19 |