Benzoic Acid
Everything that changed this flow. Back to the flow
d423e478-b36a-4489-87e6-23f2cf7e6925
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 4 catalogue altLabel value(s): 'E 210' (grade code), 'HA 1' (grade code), 'HA 1 (acid)' (grade code), 'NSC 149' (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=benzoicacid||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'65-85-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d8bf705409d1d377: {'65-85-0': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['65-85-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30746']; candidate_pubchem_cids=[242, 243, 7413, 20144841, 71310066]; selected_pubchem_cids=[243]; 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 |
|---|---|---|---|---|---|
| 5,962 | bootstrap_labels | prefLabel | — | [{"@value":"benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 5,963 | bootstrap_labels | name | benzoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 5,964 | bootstrap_labels | synonyms | ["1gyx","1kqb","AB1002068","AC1L18SV","AC1Q73KP","AKOS000119619","AMMONIUM BENZOATE","Acid, Benzoic","Acide benzoique",… | [] | Removed legacy synonyms field in favor of structured labels |
| 175,448 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 175,449 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 215,331 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,472 | normalize_name_case | prefLabel | [{"@value":"benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Benzoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,915 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6O2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,916 | enrich_references | skos_definition | — | [{"@value":"A compound comprising a benzene ring core carrying a carboxylic acid substituent.","@language":"en","proven… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,917 | enrich_references | references | [] | [{"@id":"drugcentral:4664","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['65-85-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30746']; candidate_pubchem_cids=[242, 243, 7413, 20144841, 71310066]; selected_pubchem_cids=[243]; 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 |
| 249,969 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6O2"],"… | rdkit_pre_consensus from 'C1=CC=C(C=C1)C(=O)O'; added: monoisotopic_mass |
| 255,124 | chebi_altlabels | altLabel | [] | [{"@value":"Aromatic carboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,152 | consensus_match | altLabel | [{"@value":"Aromatic carboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"Aromatic carboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=benzoicacid||dimension=Environmental > media=Water > water_body=Surface water; cas=65-85-0; added Common Chemistry CAS names as altLabel: Carboxybenzene, E 210, HA 1, HA 1 (acid), MENNO-Florades, MeSH ID: D019817, NSC 149, Purox B, Retarder BA, Retardex, Salvo liquid, Solvo powder, Tenn-Plas, VevoVitall; object_uuid=fo-d8bf705409d1d377 |
| 264,153 | consensus_match | cas_match_labels | — | {"65-85-0":"exactMatch"} | group_key=benzoicacid||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'65-85-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d8bf705409d1d377: {'65-85-0': 'exactMatch'} |
| 275,101 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6O2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Benzoic Acid' |
| 281,598 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6O2"],"… | rdkit_post_consensus from 'O=C(O)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,469 | strip_catalogue_altlabels | altLabel | [{"@value":"Aromatic carboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"Aromatic carboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Removed 4 catalogue altLabel value(s): 'E 210' (grade code), 'HA 1' (grade code), 'HA 1 (acid)' (grade code), 'NSC 149' (registry code) |
| 368,748 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d423e478-b36a-… | associations resolved on the elementary layer |
| 389,409 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6O2"],"… | typed the way the ontology types it |
| 396,550 | 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/20260821T1554374006150000/5962 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v0 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v1 |
| ef:activity/change/20260821T1554374006150000/5963 | name | ef:agent/bootstrap_labels | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v1 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v2 |
| ef:activity/change/20260821T1554374006150000/5964 | synonyms | ef:agent/bootstrap_labels | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v2 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v3 |
| ef:activity/change/20260821T1554374006150000/175448 | context | ef:agent/default_context_mapping | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v3 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v4 |
| ef:activity/change/20260821T1554374006150000/175449 | context_iri | ef:agent/default_context_mapping | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v4 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v5 |
| ef:activity/change/20260821T1554374006150000/215331 | unit_iri | ef:agent/unit_normalization | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v5 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v6 |
| ef:activity/change/20260821T1554374006150000/222472 | prefLabel | ef:agent/normalize_name_case | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v6 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v7 |
| ef:activity/change/20260821T1554374006150000/232915 | properties | ef:agent/enrich_references | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v7 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v8 |
| ef:activity/change/20260821T1554374006150000/232916 | skos_definition | ef:agent/enrich_references | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v8 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v9 |
| ef:activity/change/20260821T1554374006150000/232917 | references | ef:agent/enrich_references | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v9 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v10 |
| ef:activity/change/20260821T1554374006150000/249969 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v10 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v11 |
| ef:activity/change/20260821T1554374006150000/255124 | altLabel | ef:agent/chebi_altlabels | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v11 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v12 |
| ef:activity/change/20260821T1554374006150000/264152 | altLabel | ef:agent/consensus_match | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v12 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v13 |
| ef:activity/change/20260821T1554374006150000/264153 | cas_match_labels | ef:agent/consensus_match | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v13 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v14 |
| ef:activity/change/20260821T1554374006150000/275101 | properties | ef:agent/opsin_iupac | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v14 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v15 |
| ef:activity/change/20260821T1554374006150000/281598 | properties | ef:agent/rdkit_post_consensus | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v15 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v16 |
| ef:activity/change/20260821T1554374006150000/288469 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v16 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v17 |
| ef:activity/change/20260821T1554374006150000/368748 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v17 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v18 |
| ef:activity/change/20260821T1554374006150000/389409 | properties | ef:agent/normalise_property_values | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v18 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v19 |
| ef:activity/change/20260821T1554374006150000/396550 | types | ef:agent/link_flows_to_their_substance | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v19 | ef:flow/d423e478-b36a-4489-87e6-23f2cf7e6925/v20 |