Ethyl 3-methyl-3-phenyloxirane-2-carboxylate
Everything that changed this flow. Back to the flow
333bade8-1529-490e-afa3-79cececeb9a6
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 27905' (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=ethyl3-methyl-3-phenyloxirane-2-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'77-83-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eda3b0099983ca9b: {'77-83-8': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['77-83-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_173581']; candidate_pubchem_cids=[6501, 81939, 6993492, 19595519]; selected_pubchem_cids=[6501]; 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 |
|---|---|---|---|---|---|
| 4,293 | bootstrap_labels | prefLabel | — | [{"@value":"ethyl 3-methyl-3-phenyloxirane-2-carboxylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 4,294 | bootstrap_labels | name | ethyl 3-methyl-3-phenyloxirane-2-carboxylate | — | Purged legacy name field to enforce prefLabel usage |
| 4,295 | bootstrap_labels | synonyms | ["organic","ethyl2,3-epoxy-3-phenylbutyrate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 71,144 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 71,145 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 214,773 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,081 | normalize_name_case | prefLabel | [{"@value":"ethyl 3-methyl-3-phenyloxirane-2-carboxylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | [{"@value":"Ethyl 3-methyl-3-phenyloxirane-2-carboxylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,309 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14O3"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,310 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,311 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J15.727I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['77-83-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_173581']; candidate_pubchem_cids=[6501, 81939, 6993492, 19595519]; selected_pubchem_cids=[6501]; 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 |
| 249,505 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14O3"]… | rdkit_pre_consensus from 'CCOC(=O)C1C(O1)(C)C2=CC=CC=C2'; added: monoisotopic_mass |
| 266,847 | consensus_match | altLabel | [] | [{"@value":"2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester","@language":"en","source":{"prov:wasGeneratedBy"… | group_key=ethyl3-methyl-3-phenyloxirane-2-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=77-83-8; added Common Chemistry CAS names as altLabel: 2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester, 3-Methyl-3-phenylglycidic acid ethyl ester, Aldehyde C<sub>16</sub>, Ethyl 3-methyl-3-phenylglycidate, Ethyl methylphenylglycidate, Ethyl rac-(2r,3r)-3-methyl-3-phenyl-oxirane-2-carboxylate, Ethyl α,β-epoxy-β-methylhydrocinnamate, FRAISE PURE, Fraeseol, Hydrocinnamic acid, α,β-epoxy-β-methyl-, ethyl ester, NSC 27905, Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester, Strawberry aldehyde; object_uuid=fo-eda3b0099983ca9b |
| 266,848 | consensus_match | cas_match_labels | — | {"77-83-8":"exactMatch"} | group_key=ethyl3-methyl-3-phenyloxirane-2-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'77-83-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eda3b0099983ca9b: {'77-83-8': 'exactMatch'} |
| 274,637 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethyl 3-methyl-3-phenyloxirane-2-carboxylate' |
| 281,092 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14O3"]… | rdkit_post_consensus from 'CCOC(=O)C1OC1(C)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,129 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester","@language":"en","source":{"prov:wasGeneratedBy"… | [{"@value":"2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester","@language":"en","source":{"prov:wasGeneratedBy"… | Removed 1 catalogue altLabel value(s): 'NSC 27905' (registry code) |
| 316,589 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/333bade8-1529-… | associations resolved on the elementary layer |
| 388,942 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14O3"]… | typed the way the ontology types it |
| 395,891 | 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/20260822T0600486828500000/4293 | prefLabel | ef:agent/bootstrap_labels | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v0 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v1 |
| ef:activity/change/20260822T0600486828500000/4294 | name | ef:agent/bootstrap_labels | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v1 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v2 |
| ef:activity/change/20260822T0600486828500000/4295 | synonyms | ef:agent/bootstrap_labels | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v2 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v3 |
| ef:activity/change/20260822T0600486828500000/71144 | context | ef:agent/default_context_mapping | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v3 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v4 |
| ef:activity/change/20260822T0600486828500000/71145 | context_iri | ef:agent/default_context_mapping | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v4 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v5 |
| ef:activity/change/20260822T0600486828500000/214773 | unit_iri | ef:agent/unit_normalization | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v5 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v6 |
| ef:activity/change/20260822T0600486828500000/222081 | prefLabel | ef:agent/normalize_name_case | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v6 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v7 |
| ef:activity/change/20260822T0600486828500000/231309 | properties | ef:agent/enrich_references | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v7 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v8 |
| ef:activity/change/20260822T0600486828500000/231310 | skos_definition | ef:agent/enrich_references | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v8 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v9 |
| ef:activity/change/20260822T0600486828500000/231311 | references | ef:agent/enrich_references | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v9 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v10 |
| ef:activity/change/20260822T0600486828500000/249505 | properties | ef:agent/rdkit_pre_consensus | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v10 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v11 |
| ef:activity/change/20260822T0600486828500000/266847 | altLabel | ef:agent/consensus_match | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v11 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v12 |
| ef:activity/change/20260822T0600486828500000/266848 | cas_match_labels | ef:agent/consensus_match | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v12 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v13 |
| ef:activity/change/20260822T0600486828500000/274637 | properties | ef:agent/opsin_iupac | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v13 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v14 |
| ef:activity/change/20260822T0600486828500000/281092 | properties | ef:agent/rdkit_post_consensus | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v14 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v15 |
| ef:activity/change/20260822T0600486828500000/288129 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v15 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v16 |
| ef:activity/change/20260822T0600486828500000/316589 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v16 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v17 |
| ef:activity/change/20260822T0600486828500000/388942 | properties | ef:agent/normalise_property_values | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v17 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v18 |
| ef:activity/change/20260822T0600486828500000/395891 | types | ef:agent/link_flows_to_their_substance | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v18 | ef:flow/333bade8-1529-490e-afa3-79cececeb9a6/v19 |