Methyl Benzoate
Everything that changed this flow. Back to the flow
b2bb037c-c8a6-427d-8b82-1c4caadb2f6c
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 1 catalogue altLabel value(s): 'NSC 9394' (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=methylbenzoate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'93-58-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d2ca5e3273d36eb6: {'93-58-3': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['93-58-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_72775']; candidate_pubchem_cids=[7150, 12742, 20748]; selected_pubchem_cids=[7150]; 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 |
|---|---|---|---|---|---|
| 6,675 | bootstrap_labels | prefLabel | — | [{"@value":"methyl benzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 6,676 | bootstrap_labels | name | methyl benzoate | — | Purged legacy name field to enforce prefLabel usage |
| 6,677 | bootstrap_labels | synonyms | ["organic","methylbenzoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 156,026 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 156,027 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 215,568 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,624 | normalize_name_case | prefLabel | [{"@value":"methyl benzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Methyl Benzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,585 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,586 | enrich_references | skos_definition | — | [{"@value":"A benzoate ester obtained by condensation of benzoic acid and methanol.","@language":"en","provenance":{"pr… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,587 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.149I","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['93-58-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_72775']; candidate_pubchem_cids=[7150, 12742, 20748]; selected_pubchem_cids=[7150]; 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 |
| 250,163 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | rdkit_pre_consensus from 'COC(=O)C1=CC=CC=C1'; added: monoisotopic_mass |
| 255,199 | chebi_altlabels | altLabel | [] | [{"@value":"Benzoic acid, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,810 | consensus_match | altLabel | [{"@value":"Benzoic acid, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"Benzoic acid, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | group_key=methylbenzoate||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=93-58-3; added Common Chemistry CAS names as altLabel: Clorius, NSC 9394, Niobe oil; object_uuid=fo-d2ca5e3273d36eb6 |
| 268,811 | consensus_match | cas_match_labels | — | {"93-58-3":"exactMatch"} | group_key=methylbenzoate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'93-58-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d2ca5e3273d36eb6: {'93-58-3': 'exactMatch'} |
| 275,298 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl Benzoate' |
| 281,807 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | rdkit_post_consensus from 'COC(=O)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,618 | strip_catalogue_altlabels | altLabel | [{"@value":"Benzoic acid, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"Benzoic acid, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Removed 1 catalogue altLabel value(s): 'NSC 9394' (registry code) |
| 359,037 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b2bb037c-c8a6-… | associations resolved on the elementary layer |
| 389,602 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | typed the way the ontology types it |
| 396,825 | 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/20260822T0600486828500000/6675 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v0 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v1 |
| ef:activity/change/20260822T0600486828500000/6676 | name | ef:agent/bootstrap_labels | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v1 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v2 |
| ef:activity/change/20260822T0600486828500000/6677 | synonyms | ef:agent/bootstrap_labels | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v2 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v3 |
| ef:activity/change/20260822T0600486828500000/156026 | context | ef:agent/default_context_mapping | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v3 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v4 |
| ef:activity/change/20260822T0600486828500000/156027 | context_iri | ef:agent/default_context_mapping | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v4 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v5 |
| ef:activity/change/20260822T0600486828500000/215568 | unit_iri | ef:agent/unit_normalization | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v5 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v6 |
| ef:activity/change/20260822T0600486828500000/222624 | prefLabel | ef:agent/normalize_name_case | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v6 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v7 |
| ef:activity/change/20260822T0600486828500000/233585 | properties | ef:agent/enrich_references | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v7 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v8 |
| ef:activity/change/20260822T0600486828500000/233586 | skos_definition | ef:agent/enrich_references | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v8 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v9 |
| ef:activity/change/20260822T0600486828500000/233587 | references | ef:agent/enrich_references | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v9 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v10 |
| ef:activity/change/20260822T0600486828500000/250163 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v10 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v11 |
| ef:activity/change/20260822T0600486828500000/255199 | altLabel | ef:agent/chebi_altlabels | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v11 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v12 |
| ef:activity/change/20260822T0600486828500000/268810 | altLabel | ef:agent/consensus_match | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v12 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v13 |
| ef:activity/change/20260822T0600486828500000/268811 | cas_match_labels | ef:agent/consensus_match | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v13 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v14 |
| ef:activity/change/20260822T0600486828500000/275298 | properties | ef:agent/opsin_iupac | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v14 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v15 |
| ef:activity/change/20260822T0600486828500000/281807 | properties | ef:agent/rdkit_post_consensus | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v15 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v16 |
| ef:activity/change/20260822T0600486828500000/288618 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v16 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v17 |
| ef:activity/change/20260822T0600486828500000/359037 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v17 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v18 |
| ef:activity/change/20260822T0600486828500000/389602 | properties | ef:agent/normalise_property_values | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v18 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v19 |
| ef:activity/change/20260822T0600486828500000/396825 | types | ef:agent/link_flows_to_their_substance | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v19 | ef:flow/b2bb037c-c8a6-427d-8b82-1c4caadb2f6c/v20 |