Phenyl Salicylate
Everything that changed this flow. Back to the flow
329bd7aa-c460-49ef-858c-53fdbda949f0
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 3 catalogue altLabel value(s): 'NSC 33406' (registry code), 'Seesorb 201' (trade name), 'YC 136' (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=phenylsalicylate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'118-55-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-470fd72c5e9eb8ab: {'118-55-8': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['118-55-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34918']; candidate_pubchem_cids=[8361]; selected_pubchem_cids=[8361]; 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 |
|---|---|---|---|---|---|
| 14,889 | bootstrap_labels | prefLabel | — | [{"@value":"phenyl salicylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 14,890 | bootstrap_labels | name | phenyl salicylate | — | Purged legacy name field to enforce prefLabel usage |
| 14,891 | bootstrap_labels | synonyms | ["2-Hydroxy-benzoic acid phenyl ester","2-Hydroxybenzoic acid phenyl ester","2-Hydroxybenzoic acid, phenyl ester","2-Ph… | [] | Removed legacy synonyms field in favor of structured labels |
| 70,058 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 70,059 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 218,246 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,527 | normalize_name_case | prefLabel | [{"@value":"phenyl salicylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Phenyl Salicylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,260 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H10O3"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 241,261 | enrich_references | skos_definition | — | [{"@value":"A benzoate ester that is the phenyl ester of salicylic acid. Also known as salol, it can be formed by heati… | Merged ChEBI/PubChem definitions into skos:definition |
| 241,262 | enrich_references | references | [] | [{"@id":"drugcentral:3462","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['118-55-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34918']; candidate_pubchem_cids=[8361]; selected_pubchem_cids=[8361]; 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 |
| 252,373 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H10O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H10O3"]… | rdkit_pre_consensus from 'C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O'; added: monoisotopic_mass |
| 256,366 | chebi_altlabels | altLabel | [] | [{"@value":"2-Hydroxy-benzoic acid phenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,631 | consensus_match | altLabel | [{"@value":"2-Hydroxy-benzoic acid phenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | [{"@value":"2-Hydroxy-benzoic acid phenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | group_key=phenylsalicylate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=118-55-8; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, phenyl ester, NSC 33406, Phenyl <em>o</em>-hydroxybenzoate, Salicylic acid, phenyl ester, Salphenyl, Seesorb 201, Seesorb K 201, YC 136; object_uuid=fo-470fd72c5e9eb8ab |
| 270,632 | consensus_match | cas_match_labels | — | {"118-55-8":"exactMatch"} | group_key=phenylsalicylate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'118-55-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-470fd72c5e9eb8ab: {'118-55-8': 'exactMatch'} |
| 277,567 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H10O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H10O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phenyl Salicylate' |
| 284,263 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H10O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H10O3"]… | rdkit_post_consensus from 'O=C(Oc1ccccc1)c1ccccc1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,301 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Hydroxy-benzoic acid phenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | [{"@value":"2-Hydroxy-benzoic acid phenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | Removed 3 catalogue altLabel value(s): 'NSC 33406' (registry code), 'Seesorb 201' (trade name), 'YC 136' (grade code) |
| 316,046 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/329bd7aa-c460-… | associations resolved on the elementary layer |
| 391,923 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H10O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H10O3"]… | typed the way the ontology types it |
| 400,167 | 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/20260821T1554374006150000/14889 | prefLabel | ef:agent/bootstrap_labels | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v0 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v1 |
| ef:activity/change/20260821T1554374006150000/14890 | name | ef:agent/bootstrap_labels | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v1 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v2 |
| ef:activity/change/20260821T1554374006150000/14891 | synonyms | ef:agent/bootstrap_labels | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v2 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v3 |
| ef:activity/change/20260821T1554374006150000/70058 | context | ef:agent/default_context_mapping | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v3 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v4 |
| ef:activity/change/20260821T1554374006150000/70059 | context_iri | ef:agent/default_context_mapping | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v4 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v5 |
| ef:activity/change/20260821T1554374006150000/218246 | unit_iri | ef:agent/unit_normalization | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v5 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v6 |
| ef:activity/change/20260821T1554374006150000/224527 | prefLabel | ef:agent/normalize_name_case | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v6 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v7 |
| ef:activity/change/20260821T1554374006150000/241260 | properties | ef:agent/enrich_references | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v7 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v8 |
| ef:activity/change/20260821T1554374006150000/241261 | skos_definition | ef:agent/enrich_references | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v8 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v9 |
| ef:activity/change/20260821T1554374006150000/241262 | references | ef:agent/enrich_references | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v9 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v10 |
| ef:activity/change/20260821T1554374006150000/252373 | properties | ef:agent/rdkit_pre_consensus | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v10 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v11 |
| ef:activity/change/20260821T1554374006150000/256366 | altLabel | ef:agent/chebi_altlabels | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v11 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v12 |
| ef:activity/change/20260821T1554374006150000/270631 | altLabel | ef:agent/consensus_match | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v12 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v13 |
| ef:activity/change/20260821T1554374006150000/270632 | cas_match_labels | ef:agent/consensus_match | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v13 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v14 |
| ef:activity/change/20260821T1554374006150000/277567 | properties | ef:agent/opsin_iupac | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v14 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v15 |
| ef:activity/change/20260821T1554374006150000/284263 | properties | ef:agent/rdkit_post_consensus | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v15 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v16 |
| ef:activity/change/20260821T1554374006150000/290301 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v16 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v17 |
| ef:activity/change/20260821T1554374006150000/316046 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v17 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v18 |
| ef:activity/change/20260821T1554374006150000/391923 | properties | ef:agent/normalise_property_values | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v18 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v19 |
| ef:activity/change/20260821T1554374006150000/400167 | types | ef:agent/link_flows_to_their_substance | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v19 | ef:flow/329bd7aa-c460-49ef-858c-53fdbda949f0/v20 |