Octanoic Acid
Everything that changed this flow. Back to the flow
ba0124a2-0ace-40a6-ad20-fa9aabcc7d68
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 8 catalogue altLabel value(s): 'Cg 100' (grade code), 'Cg 100 (fatty acid)' (grade code), 'Emery 657' (trade name), 'Kortacid 0899' (trade name), 'MCFA 8S' (grade code), 'NAA 82' (grade code), 'NSC 5024' (registry code), 'Prifac 2901' (trade name) |
| 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=octanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'124-07-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e2c9ad6f6c590205: {'124-07-2': '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=['124-07-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28837']; candidate_pubchem_cids=[379, 62122, 119389, 159632, 87067751]; selected_pubchem_cids=[379]; 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 |
|---|---|---|---|---|---|
| 20,791 | bootstrap_labels | prefLabel | — | [{"@value":"octanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 20,792 | bootstrap_labels | name | octanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 20,793 | bootstrap_labels | synonyms | ["0ctanoic acid","1-heptanecarboxylic acid","AC1L193V","AC1Q2VVU","AKOS000118802","Acid C8","Acide octanoique","Acido o… | [] | Removed legacy synonyms field in favor of structured labels |
| 160,134 | 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 |
| 160,135 | 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 |
| 220,053 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,801 | normalize_name_case | prefLabel | [{"@value":"octanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Octanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,330 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,331 | enrich_references | skos_definition | — | [{"@value":"A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl gr… | Merged ChEBI/PubChem definitions into skos:definition |
| 246,332 | enrich_references | references | [] | [{"@id":"drugcentral:3998","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['124-07-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28837']; candidate_pubchem_cids=[379, 62122, 119389, 159632, 87067751]; selected_pubchem_cids=[379]; 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 |
| 257,032 | chebi_altlabels | altLabel | [] | [{"@value":"1-heptanecarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 20 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,148 | consensus_match | altLabel | [{"@value":"1-heptanecarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"1-heptanecarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=octanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=124-07-2; added Common Chemistry CAS names as altLabel: C 8-99K, Cg 100, Cg 100 (fatty acid), Edenor 8-99MY, Edenor C 8-98-100, Edenor C 8-99MY, Emery 657, Kortacid 0899, Lunac 8-95, Lunac 8-98, MCFA 8S, NAA 82, NSC 5024, Neo-Fat 8, Neo-Fat 8S, Prifac 2901; object_uuid=fo-e2c9ad6f6c590205 |
| 270,149 | consensus_match | cas_match_labels | — | {"124-07-2":"exactMatch"} | group_key=octanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'124-07-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e2c9ad6f6c590205: {'124-07-2': 'exactMatch'} |
| 279,046 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Octanoic Acid' |
| 285,874 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | rdkit_post_consensus from 'CCCCCCCC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,381 | strip_catalogue_altlabels | altLabel | [{"@value":"1-heptanecarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"1-heptanecarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Removed 8 catalogue altLabel value(s): 'Cg 100' (grade code), 'Cg 100 (fatty acid)' (grade code), 'Emery 657' (trade name), 'Kortacid 0899' (trade name), 'MCFA 8S' (grade code), 'NAA 82' (grade code), 'NSC 5024' (registry code), 'Prifac 2901' (trade name) |
| 361,091 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ba0124a2-0ace-… | associations resolved on the elementary layer |
| 393,426 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | typed the way the ontology types it |
| 402,378 | 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/20260822T0600486828500000/20791 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v0 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v1 |
| ef:activity/change/20260822T0600486828500000/20792 | name | ef:agent/bootstrap_labels | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v1 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v2 |
| ef:activity/change/20260822T0600486828500000/20793 | synonyms | ef:agent/bootstrap_labels | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v2 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v3 |
| ef:activity/change/20260822T0600486828500000/160134 | context | ef:agent/default_context_mapping | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v3 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v4 |
| ef:activity/change/20260822T0600486828500000/160135 | context_iri | ef:agent/default_context_mapping | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v4 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v5 |
| ef:activity/change/20260822T0600486828500000/220053 | unit_iri | ef:agent/unit_normalization | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v5 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v6 |
| ef:activity/change/20260822T0600486828500000/225801 | prefLabel | ef:agent/normalize_name_case | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v6 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v7 |
| ef:activity/change/20260822T0600486828500000/246330 | properties | ef:agent/enrich_references | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v7 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v8 |
| ef:activity/change/20260822T0600486828500000/246331 | skos_definition | ef:agent/enrich_references | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v8 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v9 |
| ef:activity/change/20260822T0600486828500000/246332 | references | ef:agent/enrich_references | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v9 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v10 |
| ef:activity/change/20260822T0600486828500000/257032 | altLabel | ef:agent/chebi_altlabels | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v10 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v11 |
| ef:activity/change/20260822T0600486828500000/270148 | altLabel | ef:agent/consensus_match | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v11 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v12 |
| ef:activity/change/20260822T0600486828500000/270149 | cas_match_labels | ef:agent/consensus_match | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v12 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v13 |
| ef:activity/change/20260822T0600486828500000/279046 | properties | ef:agent/opsin_iupac | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v13 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v14 |
| ef:activity/change/20260822T0600486828500000/285874 | properties | ef:agent/rdkit_post_consensus | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v14 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v15 |
| ef:activity/change/20260822T0600486828500000/291381 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v15 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v16 |
| ef:activity/change/20260822T0600486828500000/361091 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v16 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v17 |
| ef:activity/change/20260822T0600486828500000/393426 | properties | ef:agent/normalise_property_values | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v17 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v18 |
| ef:activity/change/20260822T0600486828500000/402378 | types | ef:agent/link_flows_to_their_substance | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v18 | ef:flow/ba0124a2-0ace-40a6-ad20-fa9aabcc7d68/v19 |