(3,4-dimethoxyphenyl)acetonitrile
Everything that changed this flow. Back to the flow
b94083b9-f3fb-4cb4-a83b-beecd3d897e1
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 6324' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=(3,4-dimethoxyphenyl)acetonitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'93-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3331adc639bdf5d7: {'93-17-4': '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=['93-17-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[66727, 139445, 319932]; selected_pubchem_cids=[66727]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 4,816 | bootstrap_labels | prefLabel | — | [{"@value":"(3,4-dimethoxyphenyl)acetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 4,817 | bootstrap_labels | name | (3,4-dimethoxyphenyl)acetonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 4,818 | bootstrap_labels | synonyms | ["3,4-dimethoxyphenylacetonitrile","(3,4-dimethoxyphenyl)acetonitrile","3,4-dimethoxybenzeneacetonitrile","3,4-dimethox… | [] | Removed legacy synonyms field in favor of structured labels |
| 159,752 | 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 |
| 159,753 | 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 |
| 214,954 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 231,817 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,818 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,819 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J31.172C","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['93-17-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[66727, 139445, 319932]; selected_pubchem_cids=[66727]; 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 |
| 249,653 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO2"… | rdkit_pre_consensus from 'COC1=C(C=C(C=C1)CC#N)OC'; added: molecular_mass, monoisotopic_mass |
| 257,712 | consensus_match | altLabel | [] | [{"@value":"2-(3,4-Dimethoxyphenyl)acetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=(3,4-dimethoxyphenyl)acetonitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=93-17-4; added Common Chemistry CAS names as altLabel: 2-(3,4-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxybenzeneacetonitrile, 3,4-Dimethoxybenzyl cyanide, 3,4-Methyleneoxyphenyl acetonitrile, Acetonitrile, (3,4-dimethoxyphenyl)-, Benzeneacetonitrile, 3,4-dimethoxy-, Homoveratronitrile, NSC 6324, Veratryl cyanide; object_uuid=fo-3331adc639bdf5d7 |
| 257,713 | consensus_match | cas_match_labels | — | {"93-17-4":"exactMatch"} | group_key=(3,4-dimethoxyphenyl)acetonitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'93-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3331adc639bdf5d7: {'93-17-4': 'exactMatch'} |
| 274,801 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(3,4-dimethoxyphenyl)acetonitrile' |
| 281,267 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO2"… | rdkit_post_consensus from 'COc1ccc(CC#N)cc1OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,265 | strip_catalogue_altlabels | altLabel | [{"@value":"2-(3,4-Dimethoxyphenyl)acetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | [{"@value":"2-(3,4-Dimethoxyphenyl)acetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | Removed 1 catalogue altLabel value(s): 'NSC 6324' (registry code) |
| 360,920 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b94083b9-f3fb-… | associations resolved on the elementary layer |
| 389,111 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO2"… | typed the way the ontology types it |
| 396,118 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260820T0738569779880000/4816 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v0 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v1 |
| ef:activity/change/20260820T0738569779880000/4817 | name | ef:agent/bootstrap_labels | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v1 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v2 |
| ef:activity/change/20260820T0738569779880000/4818 | synonyms | ef:agent/bootstrap_labels | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v2 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v3 |
| ef:activity/change/20260820T0738569779880000/159752 | context | ef:agent/default_context_mapping | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v3 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v4 |
| ef:activity/change/20260820T0738569779880000/159753 | context_iri | ef:agent/default_context_mapping | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v4 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v5 |
| ef:activity/change/20260820T0738569779880000/214954 | unit_iri | ef:agent/unit_normalization | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v5 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v6 |
| ef:activity/change/20260820T0738569779880000/231817 | properties | ef:agent/enrich_references | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v6 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v7 |
| ef:activity/change/20260820T0738569779880000/231818 | skos_definition | ef:agent/enrich_references | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v7 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v8 |
| ef:activity/change/20260820T0738569779880000/231819 | references | ef:agent/enrich_references | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v8 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v9 |
| ef:activity/change/20260820T0738569779880000/249653 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v9 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v10 |
| ef:activity/change/20260820T0738569779880000/257712 | altLabel | ef:agent/consensus_match | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v10 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v11 |
| ef:activity/change/20260820T0738569779880000/257713 | cas_match_labels | ef:agent/consensus_match | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v11 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v12 |
| ef:activity/change/20260820T0738569779880000/274801 | properties | ef:agent/opsin_iupac | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v12 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v13 |
| ef:activity/change/20260820T0738569779880000/281267 | properties | ef:agent/rdkit_post_consensus | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v13 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v14 |
| ef:activity/change/20260820T0738569779880000/288265 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v14 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v15 |
| ef:activity/change/20260820T0738569779880000/360920 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v15 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v16 |
| ef:activity/change/20260820T0738569779880000/389111 | properties | ef:agent/normalise_property_values | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v16 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v17 |
| ef:activity/change/20260820T0738569779880000/396118 | types | ef:agent/link_flows_to_their_substance | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v17 | ef:flow/b94083b9-f3fb-4cb4-a83b-beecd3d897e1/v18 |