3-butenenitrile, 2-benzyl-2-methyl-
Everything that changed this flow. Back to the flow
9c3590b8-8341-4e03-a6d2-dc16519b7dc8
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 | 1 | consensus_match | group_key=3-butenenitrile,2-benzyl-2-methyl-||dimension=Environmental > media=Water > water_body=Long-term; cas=97384-48-0; added Common Chemistry CAS names as altLabel: 2-Benzyl-2-methyl-3-butenenitrile, 2-Methyl-2-(phenylmethyl)-3-butenenitrile, Benzenepropanenitrile, α-ethenyl-α-methyl-, Citrowanil B, α-Ethenyl-α-methylbenzenepropanenitrile; object_uuid=fo-19abd0d3d775a93c |
| cas_match_labels | 1 | consensus_match | group_key=3-butenenitrile,2-benzyl-2-methyl-||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'97384-48-0': []}; assigned CAS labels from group consensus; object_uuid=fo-19abd0d3d775a93c: {'97384-48-0': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['97384-48-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[5463804]; selected_pubchem_cids=[5463804]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 3,774 | bootstrap_labels | prefLabel | — | [{"@value":"3-butenenitrile, 2-benzyl-2-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Bootstrapped prefLabel from legacy name field |
| 3,775 | bootstrap_labels | name | 3-butenenitrile, 2-benzyl-2-methyl- | — | Purged legacy name field to enforce prefLabel usage |
| 3,776 | bootstrap_labels | synonyms | ["organic","2-benzyl-2-methyl-3-butenitrile","citrowanilb"] | [] | Removed legacy synonyms field in favor of structured labels |
| 142,692 | 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 |
| 142,693 | 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 |
| 214,602 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 230,821 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13N"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,822 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,823 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J709.057I","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['97384-48-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[5463804]; selected_pubchem_cids=[5463804]; 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 |
| 249,368 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13N"],… | rdkit_pre_consensus from 'CC(CC1=CC=CC=C1)(C=C)C#N'; added: molecular_mass, monoisotopic_mass |
| 261,938 | consensus_match | altLabel | [] | [{"@value":"2-Benzyl-2-methyl-3-butenenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | group_key=3-butenenitrile,2-benzyl-2-methyl-||dimension=Environmental > media=Water > water_body=Long-term; cas=97384-48-0; added Common Chemistry CAS names as altLabel: 2-Benzyl-2-methyl-3-butenenitrile, 2-Methyl-2-(phenylmethyl)-3-butenenitrile, Benzenepropanenitrile, α-ethenyl-α-methyl-, Citrowanil B, α-Ethenyl-α-methylbenzenepropanenitrile; object_uuid=fo-19abd0d3d775a93c |
| 261,939 | consensus_match | cas_match_labels | — | {"97384-48-0":"exactMatch"} | group_key=3-butenenitrile,2-benzyl-2-methyl-||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'97384-48-0': []}; assigned CAS labels from group consensus; object_uuid=fo-19abd0d3d775a93c: {'97384-48-0': 'exactMatch'} |
| 274,502 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13N"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-butenenitrile, 2-benzyl-2-methyl-' |
| 280,943 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13N"],… | rdkit_post_consensus from 'C=CC(C)(C#N)Cc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 352,348 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9c3590b8-8341-… | associations resolved on the elementary layer |
| 388,800 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13N"],… | typed the way the ontology types it |
| 395,683 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1302361922970000/3774 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v0 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v1 |
| ef:activity/change/20260821T1302361922970000/3775 | name | ef:agent/bootstrap_labels | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v1 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v2 |
| ef:activity/change/20260821T1302361922970000/3776 | synonyms | ef:agent/bootstrap_labels | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v2 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v3 |
| ef:activity/change/20260821T1302361922970000/142692 | context | ef:agent/default_context_mapping | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v3 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v4 |
| ef:activity/change/20260821T1302361922970000/142693 | context_iri | ef:agent/default_context_mapping | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v4 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v5 |
| ef:activity/change/20260821T1302361922970000/214602 | unit_iri | ef:agent/unit_normalization | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v5 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v6 |
| ef:activity/change/20260821T1302361922970000/230821 | properties | ef:agent/enrich_references | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v6 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v7 |
| ef:activity/change/20260821T1302361922970000/230822 | skos_definition | ef:agent/enrich_references | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v7 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v8 |
| ef:activity/change/20260821T1302361922970000/230823 | references | ef:agent/enrich_references | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v8 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v9 |
| ef:activity/change/20260821T1302361922970000/249368 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v9 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v10 |
| ef:activity/change/20260821T1302361922970000/261938 | altLabel | ef:agent/consensus_match | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v10 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v11 |
| ef:activity/change/20260821T1302361922970000/261939 | cas_match_labels | ef:agent/consensus_match | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v11 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v12 |
| ef:activity/change/20260821T1302361922970000/274502 | properties | ef:agent/opsin_iupac | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v12 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v13 |
| ef:activity/change/20260821T1302361922970000/280943 | properties | ef:agent/rdkit_post_consensus | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v13 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v14 |
| ef:activity/change/20260821T1302361922970000/352348 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v14 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v15 |
| ef:activity/change/20260821T1302361922970000/388800 | properties | ef:agent/normalise_property_values | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v15 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v16 |
| ef:activity/change/20260821T1302361922970000/395683 | types | ef:agent/link_flows_to_their_substance | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v16 | ef:flow/9c3590b8-8341-4e03-a6d2-dc16519b7dc8/v17 |