Triphenylphosphine Oxide
Everything that changed this flow. Back to the flow
8b079cca-7060-4cf8-9442-91a979f0ba52
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 398' (registry code), 'PP 560' (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=triphenylphosphineoxide||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'791-28-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f3c8079470aa7bc: {'791-28-6': '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=['791-28-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_36601']; candidate_pubchem_cids=[13097, 17290660]; selected_pubchem_cids=[13097]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,553 | bootstrap_labels | prefLabel | — | [{"@value":"triphenylphosphine oxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 14,554 | bootstrap_labels | name | triphenylphosphine oxide | — | Purged legacy name field to enforce prefLabel usage |
| 14,555 | bootstrap_labels | synonyms | ["AB1002032","AC-19038","AC1L210X","AC1Q6RCB","AC1Q6RDD","AKOS000494984","ARONIS005287","I14-3258","Phosphine oxide, tr… | [] | Removed legacy synonyms field in favor of structured labels |
| 132,524 | 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 |
| 132,525 | 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 |
| 218,142 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,459 | normalize_name_case | prefLabel | [{"@value":"triphenylphosphine oxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"Triphenylphosphine Oxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,958 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H15OP"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 240,959 | enrich_references | skos_definition | — | [{"@value":"A phosphine oxide in which the substituents on phosphorus are three phenyl groups.","@language":"en","prove… | Merged ChEBI/PubChem definitions into skos:definition |
| 240,960 | enrich_references | references | [] | [{"@id":"gmelin:6758","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['791-28-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_36601']; candidate_pubchem_cids=[13097, 17290660]; selected_pubchem_cids=[13097]; 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 |
| 252,283 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H15OP"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H15OP"]… | rdkit_pre_consensus from 'C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3'; added: monoisotopic_mass |
| 256,329 | chebi_altlabels | altLabel | [] | [{"@value":"Triphenylphosphanoxid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 273,037 | consensus_match | altLabel | [{"@value":"Triphenylphosphanoxid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"Triphenylphosphanoxid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | group_key=triphenylphosphineoxide||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=791-28-6; added Common Chemistry CAS names as altLabel: (Diphenylphosphoroso)benzene, NSC 398, PP 560, Phosphine oxide, triphenyl-, TPPO, Triphenoxyphosphonate, Triphenylphosphine monoxide; object_uuid=fo-7f3c8079470aa7bc |
| 273,038 | consensus_match | cas_match_labels | — | {"791-28-6":"exactMatch"} | group_key=triphenylphosphineoxide||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'791-28-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f3c8079470aa7bc: {'791-28-6': 'exactMatch'} |
| 277,476 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H15OP"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H15OP"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Triphenylphosphine Oxide' |
| 284,165 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H15OP"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H15OP"]… | rdkit_post_consensus from 'O=P(c1ccccc1)(c1ccccc1)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,239 | strip_catalogue_altlabels | altLabel | [{"@value":"Triphenylphosphanoxid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"Triphenylphosphanoxid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Removed 2 catalogue altLabel value(s): 'NSC 398' (registry code), 'PP 560' (grade code) |
| 347,255 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8b079cca-7060-… | associations resolved on the elementary layer |
| 391,831 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H15OP"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H15OP"]… | typed the way the ontology types it |
| 400,036 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1122181958110000/14553 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v0 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v1 |
| ef:activity/change/20260821T1122181958110000/14554 | name | ef:agent/bootstrap_labels | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v1 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v2 |
| ef:activity/change/20260821T1122181958110000/14555 | synonyms | ef:agent/bootstrap_labels | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v2 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v3 |
| ef:activity/change/20260821T1122181958110000/132524 | context | ef:agent/default_context_mapping | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v3 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v4 |
| ef:activity/change/20260821T1122181958110000/132525 | context_iri | ef:agent/default_context_mapping | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v4 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v5 |
| ef:activity/change/20260821T1122181958110000/218142 | unit_iri | ef:agent/unit_normalization | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v5 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v6 |
| ef:activity/change/20260821T1122181958110000/224459 | prefLabel | ef:agent/normalize_name_case | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v6 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v7 |
| ef:activity/change/20260821T1122181958110000/240958 | properties | ef:agent/enrich_references | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v7 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v8 |
| ef:activity/change/20260821T1122181958110000/240959 | skos_definition | ef:agent/enrich_references | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v8 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v9 |
| ef:activity/change/20260821T1122181958110000/240960 | references | ef:agent/enrich_references | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v9 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v10 |
| ef:activity/change/20260821T1122181958110000/252283 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v10 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v11 |
| ef:activity/change/20260821T1122181958110000/256329 | altLabel | ef:agent/chebi_altlabels | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v11 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v12 |
| ef:activity/change/20260821T1122181958110000/273037 | altLabel | ef:agent/consensus_match | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v12 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v13 |
| ef:activity/change/20260821T1122181958110000/273038 | cas_match_labels | ef:agent/consensus_match | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v13 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v14 |
| ef:activity/change/20260821T1122181958110000/277476 | properties | ef:agent/opsin_iupac | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v14 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v15 |
| ef:activity/change/20260821T1122181958110000/284165 | properties | ef:agent/rdkit_post_consensus | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v15 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v16 |
| ef:activity/change/20260821T1122181958110000/290239 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v16 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v17 |
| ef:activity/change/20260821T1122181958110000/347255 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v17 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v18 |
| ef:activity/change/20260821T1122181958110000/391831 | properties | ef:agent/normalise_property_values | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v18 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v19 |
| ef:activity/change/20260821T1122181958110000/400036 | types | ef:agent/link_flows_to_their_substance | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v19 | ef:flow/8b079cca-7060-4cf8-9442-91a979f0ba52/v20 |