4-hydroxy-3,5-dimethoxybenzonitrile
Everything that changed this flow. Back to the flow
68083600-6cb2-4af9-b754-d57ce39365e0
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=4-hydroxy-3,5-dimethoxybenzonitrile||dimension=Environmental > media=Ground > geography=Agricultural; cas=72684-95-8; added Common Chemistry CAS names as altLabel: 3,5-Dimethoxy-4-hydroxybenzonitrile, 4-Cyano-2,6-dimethoxyphenol, Benzonitrile, 4-hydroxy-3,5-dimethoxy-, Syringonitrile; object_uuid=fo-67119f68b53d4f75 |
| cas_match_labels | 1 | consensus_match | group_key=4-hydroxy-3,5-dimethoxybenzonitrile||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'72684-95-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67119f68b53d4f75: {'72684-95-8': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 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=['72684-95-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[14381935]; selected_pubchem_cids=[14381935]; 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 |
|---|---|---|---|---|---|
| 14,609 | bootstrap_labels | prefLabel | — | [{"@value":"4-hydroxy-3,5-dimethoxybenzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Bootstrapped prefLabel from legacy name field |
| 14,610 | bootstrap_labels | name | 4-hydroxy-3,5-dimethoxybenzonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 14,611 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 111,720 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 111,721 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 218,160 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 241,011 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO3"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,012 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,013 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J972.119C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['72684-95-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[14381935]; selected_pubchem_cids=[14381935]; 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 |
| 252,299 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO3"],… | rdkit_pre_consensus from 'COC1=CC(=CC(=C1O)OC)C#N'; added: molecular_mass, monoisotopic_mass |
| 262,741 | consensus_match | altLabel | [] | [{"@value":"3,5-Dimethoxy-4-hydroxybenzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=4-hydroxy-3,5-dimethoxybenzonitrile||dimension=Environmental > media=Ground > geography=Agricultural; cas=72684-95-8; added Common Chemistry CAS names as altLabel: 3,5-Dimethoxy-4-hydroxybenzonitrile, 4-Cyano-2,6-dimethoxyphenol, Benzonitrile, 4-hydroxy-3,5-dimethoxy-, Syringonitrile; object_uuid=fo-67119f68b53d4f75 |
| 262,742 | consensus_match | cas_match_labels | — | {"72684-95-8":"exactMatch"} | group_key=4-hydroxy-3,5-dimethoxybenzonitrile||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'72684-95-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67119f68b53d4f75: {'72684-95-8': 'exactMatch'} |
| 277,495 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-hydroxy-3,5-dimethoxybenzonitrile' |
| 284,184 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO3"],… | rdkit_post_consensus from 'COc1cc(C#N)cc(OC)c1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 336,859 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/68083600-6cb2-… | associations resolved on the elementary layer |
| 391,850 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO3"],… | typed the way the ontology types it |
| 400,060 | 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/20260821T1554374006150000/14609 | prefLabel | ef:agent/bootstrap_labels | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v0 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v1 |
| ef:activity/change/20260821T1554374006150000/14610 | name | ef:agent/bootstrap_labels | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v1 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v2 |
| ef:activity/change/20260821T1554374006150000/14611 | synonyms | ef:agent/bootstrap_labels | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v2 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v3 |
| ef:activity/change/20260821T1554374006150000/111720 | context | ef:agent/default_context_mapping | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v3 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v4 |
| ef:activity/change/20260821T1554374006150000/111721 | context_iri | ef:agent/default_context_mapping | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v4 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v5 |
| ef:activity/change/20260821T1554374006150000/218160 | unit_iri | ef:agent/unit_normalization | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v5 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v6 |
| ef:activity/change/20260821T1554374006150000/241011 | properties | ef:agent/enrich_references | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v6 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v7 |
| ef:activity/change/20260821T1554374006150000/241012 | skos_definition | ef:agent/enrich_references | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v7 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v8 |
| ef:activity/change/20260821T1554374006150000/241013 | references | ef:agent/enrich_references | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v8 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v9 |
| ef:activity/change/20260821T1554374006150000/252299 | properties | ef:agent/rdkit_pre_consensus | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v9 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v10 |
| ef:activity/change/20260821T1554374006150000/262741 | altLabel | ef:agent/consensus_match | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v10 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v11 |
| ef:activity/change/20260821T1554374006150000/262742 | cas_match_labels | ef:agent/consensus_match | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v11 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v12 |
| ef:activity/change/20260821T1554374006150000/277495 | properties | ef:agent/opsin_iupac | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v12 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v13 |
| ef:activity/change/20260821T1554374006150000/284184 | properties | ef:agent/rdkit_post_consensus | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v13 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v14 |
| ef:activity/change/20260821T1554374006150000/336859 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v14 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v15 |
| ef:activity/change/20260821T1554374006150000/391850 | properties | ef:agent/normalise_property_values | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v15 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v16 |
| ef:activity/change/20260821T1554374006150000/400060 | types | ef:agent/link_flows_to_their_substance | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v16 | ef:flow/68083600-6cb2-4af9-b754-d57ce39365e0/v17 |