Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
Everything that changed this flow. Back to the flow
d39661a4-80dd-49ed-ac2c-a356b3342de7
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=methyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'6386-38-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0f48ce66abb36fa: {'6386-38-5': '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 air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, 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=['6386-38-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_183289']; candidate_pubchem_cids=[62603, 44181835]; selected_pubchem_cids=[62603]; 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 |
|---|---|---|---|---|---|
| 13,595 | bootstrap_labels | prefLabel | — | [{"@value":"methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate","@language":"en","source":{"prov:wasGeneratedBy":"b… | Bootstrapped prefLabel from legacy name field |
| 13,596 | bootstrap_labels | name | methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate | — | Purged legacy name field to enforce prefLabel usage |
| 13,597 | bootstrap_labels | synonyms | ["organic","methyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 175,110 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 175,111 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 217,830 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,241 | normalize_name_case | prefLabel | [{"@value":"methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate","@language":"en","source":{"prov:wasGeneratedBy":"b… | [{"@value":"Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate","@language":"en","source":{"prov:wasGeneratedBy":"b… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,060 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28O3"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 240,061 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,062 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.859J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['6386-38-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_183289']; candidate_pubchem_cids=[62603, 44181835]; selected_pubchem_cids=[62603]; 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 |
| 252,021 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28O3"]… | rdkit_pre_consensus from 'CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC'; added: monoisotopic_mass |
| 256,223 | chebi_altlabels | altLabel | [] | [{"@value":"methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate","@language":"en","source":{"prov:wasGeneratedBy":"ch… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,732 | consensus_match | altLabel | [{"@value":"methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate","@language":"en","source":{"prov:wasGeneratedBy":"ch… | [{"@value":"methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate","@language":"en","source":{"prov:wasGeneratedBy":"ch… | group_key=methyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate||dimension=Environmental > media=Water > water_body=Surface water; cas=6386-38-5; added Common Chemistry CAS names as altLabel: 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester, 3-(3,5-Di(<em>tert</em>-butyl)-4-hydroxyphenyl)propanoic acid methyl ester, 3-(3,5-Di-<em>tert</em>-butyl-4-hydroxyphenyl)propionic acid methyl ester, Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester, Fenozan 1, Hydrocinnamic acid, 3,5-di-<em>tert</em>-butyl-4-hydroxy-, methyl ester, Methyl (3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propionate, Methyl 3,5-di-<em>tert</em>-butyl-4-hydroxy-β-phenylpropionate, Methyl 3,5-di-<em>tert</em>-butyl-4-hydroxyhydrocinnamate, Methyl 3-(3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propionate, Methyl 3-(3′,5′-di-<em>tert</em>-butyl-4′-hydroxyphenyl)propionate, Methyl 3-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propionate, Methyl β-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propanoate, Methyl β-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propionate, Methyl β-3,5-di-<em>tert</em>-butyl-4-hydroxyphenylpropionate, Methylox, Metilox, Phenosan methyl ester, Ralox 35; object_uuid=fo-c0f48ce66abb36fa |
| 268,733 | consensus_match | cas_match_labels | — | {"6386-38-5":"exactMatch"} | group_key=methyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'6386-38-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0f48ce66abb36fa: {'6386-38-5': 'exactMatch'} |
| 277,220 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate' |
| 283,884 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28O3"]… | rdkit_post_consensus from 'COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,700 | dedupe_altlabels | altLabel | [{"@value":"methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate","@language":"en","source":{"prov:wasGeneratedBy":"ch… | [{"@value":"methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate","@language":"en","source":{"prov:wasGeneratedBy":"ch… | Deduplicated altLabel values and removed entries matching prefLabel |
| 368,579 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d39661a4-80dd-… | associations resolved on the elementary layer |
| 391,567 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28O3"]… | typed the way the ontology types it |
| 399,661 | 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/20260822T0600486828500000/13595 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v0 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v1 |
| ef:activity/change/20260822T0600486828500000/13596 | name | ef:agent/bootstrap_labels | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v1 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v2 |
| ef:activity/change/20260822T0600486828500000/13597 | synonyms | ef:agent/bootstrap_labels | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v2 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v3 |
| ef:activity/change/20260822T0600486828500000/175110 | context | ef:agent/default_context_mapping | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v3 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v4 |
| ef:activity/change/20260822T0600486828500000/175111 | context_iri | ef:agent/default_context_mapping | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v4 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v5 |
| ef:activity/change/20260822T0600486828500000/217830 | unit_iri | ef:agent/unit_normalization | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v5 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v6 |
| ef:activity/change/20260822T0600486828500000/224241 | prefLabel | ef:agent/normalize_name_case | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v6 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v7 |
| ef:activity/change/20260822T0600486828500000/240060 | properties | ef:agent/enrich_references | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v7 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v8 |
| ef:activity/change/20260822T0600486828500000/240061 | skos_definition | ef:agent/enrich_references | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v8 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v9 |
| ef:activity/change/20260822T0600486828500000/240062 | references | ef:agent/enrich_references | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v9 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v10 |
| ef:activity/change/20260822T0600486828500000/252021 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v10 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v11 |
| ef:activity/change/20260822T0600486828500000/256223 | altLabel | ef:agent/chebi_altlabels | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v11 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v12 |
| ef:activity/change/20260822T0600486828500000/268732 | altLabel | ef:agent/consensus_match | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v12 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v13 |
| ef:activity/change/20260822T0600486828500000/268733 | cas_match_labels | ef:agent/consensus_match | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v13 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v14 |
| ef:activity/change/20260822T0600486828500000/277220 | properties | ef:agent/opsin_iupac | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v14 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v15 |
| ef:activity/change/20260822T0600486828500000/283884 | properties | ef:agent/rdkit_post_consensus | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v15 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v16 |
| ef:activity/change/20260822T0600486828500000/292700 | altLabel | ef:agent/dedupe_altlabels | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v16 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v17 |
| ef:activity/change/20260822T0600486828500000/368579 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v17 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v18 |
| ef:activity/change/20260822T0600486828500000/391567 | properties | ef:agent/normalise_property_values | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v18 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v19 |
| ef:activity/change/20260822T0600486828500000/399661 | types | ef:agent/link_flows_to_their_substance | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v19 | ef:flow/d39661a4-80dd-49ed-ac2c-a356b3342de7/v20 |