Diethyl Benzylmalonate
Everything that changed this flow. Back to the flow
10a3473d-e9c2-4ae8-9913-3ac77d459136
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 3 catalogue altLabel value(s): 'NSC 41169' (registry code), 'NSC 631631' (registry code), 'NSC 8720' (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=diethylbenzylmalonate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'607-81-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e0351230816bea8: {'607-81-8': '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 air > Emissions to air, unspecified |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['607-81-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[9334, 69090]; selected_pubchem_cids=[69090]; 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 |
|---|---|---|---|---|---|
| 13,029 | bootstrap_labels | prefLabel | — | [{"@value":"diethyl benzylmalonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 13,030 | bootstrap_labels | name | diethyl benzylmalonate | — | Purged legacy name field to enforce prefLabel usage |
| 13,031 | bootstrap_labels | synonyms | ["AC1L2B3G","AC1Q63TW","AKOS000120927","B0423","Benzylmalonic acid diethyl ester","Diethyl 2-benzylmalonate","Malonic a… | [] | Removed legacy synonyms field in favor of structured labels |
| 47,173 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 47,174 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 217,650 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,113 | normalize_name_case | prefLabel | [{"@value":"diethyl benzylmalonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Diethyl Benzylmalonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,546 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,547 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,548 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J134.657A","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['607-81-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[9334, 69090]; selected_pubchem_cids=[69090]; 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 |
| 251,878 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18O4"]… | rdkit_pre_consensus from 'CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC'; added: molecular_mass, monoisotopic_mass |
| 265,890 | consensus_match | altLabel | [] | [{"@value":"(Phenylmethyl)propanedioic acid diethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | group_key=diethylbenzylmalonate||dimension=Environmental > media=Air > strata=Unknown; cas=607-81-8; added Common Chemistry CAS names as altLabel: (Phenylmethyl)propanedioic acid diethyl ester, 1,1-Bis(ethoxycarbonyl)-2-phenylethane, 1,3-Diethyl 2-(phenylmethyl)propanedioate, 1,3-Diethyl 2-benzylpropanedioate, 2-Benzylmalonic acid diethyl ester, Benzylmalonic acid diethyl ester, Diethyl 2-benzylmalonate, Diethyl 2-benzylpropanedioate, Malonic acid, benzyl-, diethyl ester, NSC 41169, NSC 631631, NSC 8720, Propanedioic acid, (phenylmethyl)-, diethyl ester, Propanedioic acid, 2-(phenylmethyl)-, 1,3-diethyl ester; object_uuid=fo-9e0351230816bea8 |
| 265,891 | consensus_match | cas_match_labels | — | {"607-81-8":"exactMatch"} | group_key=diethylbenzylmalonate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'607-81-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e0351230816bea8: {'607-81-8': 'exactMatch'} |
| 277,069 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diethyl Benzylmalonate' |
| 283,725 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18O4"]… | rdkit_post_consensus from 'CCOC(=O)C(Cc1ccccc1)C(=O)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,943 | strip_catalogue_altlabels | altLabel | [{"@value":"(Phenylmethyl)propanedioic acid diethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | [{"@value":"(Phenylmethyl)propanedioic acid diethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | Removed 3 catalogue altLabel value(s): 'NSC 41169' (registry code), 'NSC 631631' (registry code), 'NSC 8720' (registry code) |
| 304,652 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/10a3473d-e9c2-… | associations resolved on the elementary layer |
| 391,445 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18O4"]… | typed the way the ontology types it |
| 399,465 | 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/20260920T1042228874600000/13029 | prefLabel | ef:agent/bootstrap_labels | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v0 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v1 |
| ef:activity/change/20260920T1042228874600000/13030 | name | ef:agent/bootstrap_labels | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v1 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v2 |
| ef:activity/change/20260920T1042228874600000/13031 | synonyms | ef:agent/bootstrap_labels | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v2 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v3 |
| ef:activity/change/20260920T1042228874600000/47173 | context | ef:agent/default_context_mapping | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v3 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v4 |
| ef:activity/change/20260920T1042228874600000/47174 | context_iri | ef:agent/default_context_mapping | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v4 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v5 |
| ef:activity/change/20260920T1042228874600000/217650 | unit_iri | ef:agent/unit_normalization | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v5 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v6 |
| ef:activity/change/20260920T1042228874600000/224113 | prefLabel | ef:agent/normalize_name_case | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v6 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v7 |
| ef:activity/change/20260920T1042228874600000/239546 | properties | ef:agent/enrich_references | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v7 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v8 |
| ef:activity/change/20260920T1042228874600000/239547 | skos_definition | ef:agent/enrich_references | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v8 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v9 |
| ef:activity/change/20260920T1042228874600000/239548 | references | ef:agent/enrich_references | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v9 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v10 |
| ef:activity/change/20260920T1042228874600000/251878 | properties | ef:agent/rdkit_pre_consensus | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v10 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v11 |
| ef:activity/change/20260920T1042228874600000/265890 | altLabel | ef:agent/consensus_match | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v11 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v12 |
| ef:activity/change/20260920T1042228874600000/265891 | cas_match_labels | ef:agent/consensus_match | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v12 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v13 |
| ef:activity/change/20260920T1042228874600000/277069 | properties | ef:agent/opsin_iupac | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v13 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v14 |
| ef:activity/change/20260920T1042228874600000/283725 | properties | ef:agent/rdkit_post_consensus | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v14 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v15 |
| ef:activity/change/20260920T1042228874600000/289943 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v15 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v16 |
| ef:activity/change/20260920T1042228874600000/304652 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v16 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v17 |
| ef:activity/change/20260920T1042228874600000/391445 | properties | ef:agent/normalise_property_values | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v17 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v18 |
| ef:activity/change/20260920T1042228874600000/399465 | types | ef:agent/link_flows_to_their_substance | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v18 | ef:flow/10a3473d-e9c2-4ae8-9913-3ac77d459136/v19 |