Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, Acetate (1:1)
Everything that changed this flow. Back to the flow
06afb99f-829f-45d4-8adc-3a6abf90fa37
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=methanaminium,n-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-,acetate(1:1)||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'41272-40-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11bfd1f5b8c18ec: {'41272-40-6': '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=['41272-40-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[10521, 103101, 162459, 90472467]; selected_pubchem_cids=[162459]; 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 |
|---|---|---|---|---|---|
| 5,464 | bootstrap_labels | prefLabel | — | [{"@value":"methanaminium, n-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, acet… | Bootstrapped prefLabel from legacy name field |
| 5,465 | bootstrap_labels | name | methanaminium, n-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, acetate (1:1) | — | Purged legacy name field to enforce prefLabel usage |
| 5,466 | bootstrap_labels | synonyms | ["organic","[4-[î±-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammoniumacetate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 30,732 | 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 |
| 30,733 | 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 |
| 215,163 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,361 | normalize_name_case | prefLabel | [{"@value":"methanaminium, n-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, acet… | [{"@value":"Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, Acet… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,431 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H28N2O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,432 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,433 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.050.245","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['41272-40-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[10521, 103101, 162459, 90472467]; selected_pubchem_cids=[162459]; 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 |
| 249,824 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H28N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H28N2O2… | rdkit_pre_consensus from 'CC(=O)[O-].CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3'; added: molecular_mass, monoisotopic_mass |
| 268,635 | consensus_match | altLabel | [] | [{"@value":"Malachite green acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | group_key=methanaminium,n-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-,acetate(1:1)||dimension=Environmental > media=Air > strata=Unknown; cas=41272-40-6; added Common Chemistry CAS names as altLabel: Malachite green acetate, Methanaminium, <em>N</em>-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-<em>N</em>-methyl-, acetate; object_uuid=fo-f11bfd1f5b8c18ec |
| 268,636 | consensus_match | cas_match_labels | — | {"41272-40-6":"exactMatch"} | group_key=methanaminium,n-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-,acetate(1:1)||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'41272-40-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11bfd1f5b8c18ec: {'41272-40-6': 'exactMatch'} |
| 274,962 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H28N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H28N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, Acetate (1:1)' |
| 281,446 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H28N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H28N2O2… | rdkit_post_consensus from 'CC(=O)[O-].CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,265 | dedupe_altlabels | altLabel | [{"@value":"Malachite green acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | [{"@value":"Malachite green acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | Deduplicated altLabel values and removed entries matching prefLabel |
| 296,405 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/06afb99f-829f-… | associations resolved on the elementary layer |
| 389,272 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H28N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H28N2O2… | typed the way the ontology types it |
| 396,346 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260822T0600486828500000/5464 | prefLabel | ef:agent/bootstrap_labels | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v0 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v1 |
| ef:activity/change/20260822T0600486828500000/5465 | name | ef:agent/bootstrap_labels | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v1 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v2 |
| ef:activity/change/20260822T0600486828500000/5466 | synonyms | ef:agent/bootstrap_labels | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v2 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v3 |
| ef:activity/change/20260822T0600486828500000/30732 | context | ef:agent/default_context_mapping | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v3 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v4 |
| ef:activity/change/20260822T0600486828500000/30733 | context_iri | ef:agent/default_context_mapping | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v4 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v5 |
| ef:activity/change/20260822T0600486828500000/215163 | unit_iri | ef:agent/unit_normalization | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v5 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v6 |
| ef:activity/change/20260822T0600486828500000/222361 | prefLabel | ef:agent/normalize_name_case | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v6 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v7 |
| ef:activity/change/20260822T0600486828500000/232431 | properties | ef:agent/enrich_references | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v7 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v8 |
| ef:activity/change/20260822T0600486828500000/232432 | skos_definition | ef:agent/enrich_references | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v8 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v9 |
| ef:activity/change/20260822T0600486828500000/232433 | references | ef:agent/enrich_references | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v9 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v10 |
| ef:activity/change/20260822T0600486828500000/249824 | properties | ef:agent/rdkit_pre_consensus | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v10 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v11 |
| ef:activity/change/20260822T0600486828500000/268635 | altLabel | ef:agent/consensus_match | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v11 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v12 |
| ef:activity/change/20260822T0600486828500000/268636 | cas_match_labels | ef:agent/consensus_match | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v12 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v13 |
| ef:activity/change/20260822T0600486828500000/274962 | properties | ef:agent/opsin_iupac | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v13 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v14 |
| ef:activity/change/20260822T0600486828500000/281446 | properties | ef:agent/rdkit_post_consensus | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v14 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v15 |
| ef:activity/change/20260822T0600486828500000/292265 | altLabel | ef:agent/dedupe_altlabels | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v15 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v16 |
| ef:activity/change/20260822T0600486828500000/296405 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v16 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v17 |
| ef:activity/change/20260822T0600486828500000/389272 | properties | ef:agent/normalise_property_values | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v17 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v18 |
| ef:activity/change/20260822T0600486828500000/396346 | types | ef:agent/link_flows_to_their_substance | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v18 | ef:flow/06afb99f-829f-45d4-8adc-3a6abf90fa37/v19 |