6-phenylcaproic Acid
Everything that changed this flow. Back to the flow
249861a9-637a-4a31-914d-8fd84cbde7fd
By field
12 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 |
| 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=6-phenylcaproicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'5581-75-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-189ec9790196cdc2: {'5581-75-9': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['5581-75-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[79695, 95012, 6992608]; selected_pubchem_cids=[79695, 6992608]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,518 | bootstrap_labels | prefLabel | — | [{"@value":"6-phenylcaproic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 6,519 | bootstrap_labels | name | 6-phenylcaproic acid | — | Purged legacy name field to enforce prefLabel usage |
| 6,520 | bootstrap_labels | synonyms | ["6-Phenylhexanoic acid","AC1L2XXU","AC1Q5W4V","Benzenehexanoic acid","P1108","ST50405275"] | [] | Removed legacy synonyms field in favor of structured labels |
| 60,902 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 60,903 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 215,515 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,588 | normalize_name_case | prefLabel | [{"@value":"6-phenylcaproic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"6-phenylcaproic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,439 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H15O2-"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 233,440 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,441 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J261.082E","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['5581-75-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[79695, 95012, 6992608]; selected_pubchem_cids=[79695, 6992608]; 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 |
| 250,120 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H15O2-"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H15O2-"… | rdkit_pre_consensus from 'C1=CC=C(C=C1)CCCCCC(=O)O'; added: molecular_mass, monoisotopic_mass |
| 263,292 | consensus_match | cas_match_labels | — | {"5581-75-9":"exactMatch"} | group_key=6-phenylcaproicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'5581-75-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-189ec9790196cdc2: {'5581-75-9': 'exactMatch'} |
| 275,257 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H15O2-"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H15O2-"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '6-phenylcaproic Acid' |
| 281,763 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H15O2-"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H15O2-"… | rdkit_post_consensus from 'O=C(O)CCCCCc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 311,470 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/249861a9-637a-… | associations resolved on the elementary layer |
| 389,560 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H15O2-"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H15O2-"… | typed the way the ontology types it |
| 396,763 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1554374006150000/6518 | prefLabel | ef:agent/bootstrap_labels | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v0 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v1 |
| ef:activity/change/20260821T1554374006150000/6519 | name | ef:agent/bootstrap_labels | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v1 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v2 |
| ef:activity/change/20260821T1554374006150000/6520 | synonyms | ef:agent/bootstrap_labels | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v2 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v3 |
| ef:activity/change/20260821T1554374006150000/60902 | context | ef:agent/default_context_mapping | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v3 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v4 |
| ef:activity/change/20260821T1554374006150000/60903 | context_iri | ef:agent/default_context_mapping | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v4 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v5 |
| ef:activity/change/20260821T1554374006150000/215515 | unit_iri | ef:agent/unit_normalization | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v5 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v6 |
| ef:activity/change/20260821T1554374006150000/222588 | prefLabel | ef:agent/normalize_name_case | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v6 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v7 |
| ef:activity/change/20260821T1554374006150000/233439 | properties | ef:agent/enrich_references | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v7 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v8 |
| ef:activity/change/20260821T1554374006150000/233440 | skos_definition | ef:agent/enrich_references | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v8 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v9 |
| ef:activity/change/20260821T1554374006150000/233441 | references | ef:agent/enrich_references | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v9 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v10 |
| ef:activity/change/20260821T1554374006150000/250120 | properties | ef:agent/rdkit_pre_consensus | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v10 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v11 |
| ef:activity/change/20260821T1554374006150000/263292 | cas_match_labels | ef:agent/consensus_match | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v11 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v12 |
| ef:activity/change/20260821T1554374006150000/275257 | properties | ef:agent/opsin_iupac | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v12 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v13 |
| ef:activity/change/20260821T1554374006150000/281763 | properties | ef:agent/rdkit_post_consensus | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v13 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v14 |
| ef:activity/change/20260821T1554374006150000/311470 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v14 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v15 |
| ef:activity/change/20260821T1554374006150000/389560 | properties | ef:agent/normalise_property_values | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v15 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v16 |
| ef:activity/change/20260821T1554374006150000/396763 | types | ef:agent/link_flows_to_their_substance | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v16 | ef:flow/249861a9-637a-4a31-914d-8fd84cbde7fd/v17 |