[4-[[4-(dimethylamino)phenyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, Sodium Salt
Everything that changed this flow. Back to the flow
20c50eda-9106-4c6f-ac98-c6c49ddb6af5
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'Acid Violet 23184' (trade name), 'C.I. 42640' (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=[4-[[4-(dimethylamino)phenyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium,sodiumsalt||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory']; cas_sources={'1694-09-3': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dd486319173e95bd: {'1694-09-3': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 216-901-9 from CAS 1694-09-3 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1694-09-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82293']; candidate_pubchem_cids=[5284479, 23691992, 53297422, 126957500, 131849478]; selected_pubchem_cids=[]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 227 | bootstrap_labels | prefLabel | — | [{"@value":"[4-[[4-(dimethylamino)phenyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylide… | Bootstrapped prefLabel from legacy name field |
| 228 | bootstrap_labels | name | [4-[[4-(dimethylamino)phenyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3… | — | Purged legacy name field to enforce prefLabel usage |
| 229 | bootstrap_labels | synonyms | ["(4-((4-(Dimethylamino)phenyl)(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)… | [] | Removed legacy synonyms field in favor of structured labels |
| 58,612 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 58,613 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 213,414 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,144 | normalize_name_case | prefLabel | [{"@value":"[4-[[4-(dimethylamino)phenyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylide… | [{"@value":"[4-[[4-(dimethylamino)phenyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylide… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,719 | ec_cross_check | ec_numbers | [] | ["216-901-9"] | Resolved from EC-inventory: 216-901-9 from CAS 1694-09-3 |
| 227,385 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C39H41N3O6… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=0) |
| 227,386 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,387 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=1694-09-3","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['1694-09-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82293']; candidate_pubchem_cids=[5284479, 23691992, 53297422, 126957500, 131849478]; selected_pubchem_cids=[]; 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 |
| 248,374 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C39H41N3O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C39H41N3Na… | rdkit_pre_consensus from 'CCN(Cc1ccc(S(=O)(=O)O)cc1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccc(N(C)C)cc2)cc1.[Na+]'; added: molecular_formula, monoisotopic_mass |
| 254,414 | chebi_altlabels | altLabel | [] | [{"@value":"Benzyl Violet","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,459 | consensus_match | altLabel | [{"@value":"Benzyl Violet","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"Benzyl Violet","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | group_key=[4-[[4-(dimethylamino)phenyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium,sodiumsalt||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=1694-09-3; added Common Chemistry CAS names as altLabel: 11386 Violet, A.F. Violet No. 1, Acid Fast Violet 5BN, Acid Milling Violet 4BS, Acid Violet, Acid Violet 23184, Acid Violet 49, Acid Violet 4BNP, Acid Violet 5B, Acid Violet 5BN, Acid Violet 6B, Acid Violet S, Acilan Violet S 4BN, Aizen Acid Violet 5BH, Atlantic Acid Violet 4BNS, Benzenemethanaminium, <em>N</em>-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-<em>N</em>-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt, Benzenemethanaminium, <em>N</em>-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-<em>N</em>-ethyl-3-sulfo-, inner salt, sodium salt, Benzenemethanaminium, <em>N</em>-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-<em>N</em>-ethyl-3-sulfo-, inner salt, sodium salt (1:1), Benzyl Violet 3B, Benzyl Violet 4B, Borunil Violet A-6B, C.I. 42640, C.I. Acid Violet 49, C.I. Acid Violet 49, sodium salt, C.I. Food Violet 2, Cogilor Violet 411.12, Coomassie Violet, D And C Violet No. 1, Dinacid Violet 4B, Dycosacid Violet 5B, Everacid Violet 4BR, FD and C Violet 1, FD and C Violet No. 1, FD&C Violet No. 1, Fast Acid Violet 5BN, Food Violet 2, Hidacid Wool Violet 5B, Ichoacid Violet M, Indacid Violet S 4BN, Kenanthrol Violet 4BNS, Kiton Violet 4BNS, Libacid Violet L4BS, Lowalan Violet 49, Monacid Violet 4BS, Old Japan Purple 1, Old Japan Violet 1, Orbacid Violet S 4B, Orient Water Violet 1, Pacid Violet 4BS, Pergacid Violet 2B, Ratna Acid Violet 5BND, Ravi Acid Violet 4B, Serva Violet 49, Tertracid Brilliant Violet 6B, Triacid Violet 4BN, Violet 6B, Violet No. 1, Water Violet 1, Wool Violet 4BN, Wool Violet 5BN; object_uuid=fo-dd486319173e95bd |
| 263,460 | consensus_match | cas_match_labels | — | {"1694-09-3":"exactMatch"} | group_key=[4-[[4-(dimethylamino)phenyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium,sodiumsalt||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory']; cas_sources={'1694-09-3': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dd486319173e95bd: {'1694-09-3': 'exactMatch'} |
| 273,516 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C39H41N3Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C39H41N3Na… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '[4-[[4-(dimethylamino)phenyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, Sodium Salt' |
| 279,870 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C39H41N3Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C39H40N3Na… | rdkit_post_consensus from 'CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccc(N(C)C)cc2)cc1.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,730 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C39H40N3Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C39H40N3Na… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 287,314 | strip_catalogue_altlabels | altLabel | [{"@value":"Benzyl Violet","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"Benzyl Violet","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Removed 2 catalogue altLabel value(s): 'Acid Violet 23184' (trade name), 'C.I. 42640' (registry code) |
| 310,348 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/20c50eda-9106-… | associations resolved on the elementary layer |
| 387,795 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C39H40N3Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C39H40N3Na… | typed the way the ontology types it |
| 394,273 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260820T0738569779880000/227 | prefLabel | ef:agent/bootstrap_labels | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v0 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v1 |
| ef:activity/change/20260820T0738569779880000/228 | name | ef:agent/bootstrap_labels | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v1 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v2 |
| ef:activity/change/20260820T0738569779880000/229 | synonyms | ef:agent/bootstrap_labels | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v2 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v3 |
| ef:activity/change/20260820T0738569779880000/58612 | context | ef:agent/default_context_mapping | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v3 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v4 |
| ef:activity/change/20260820T0738569779880000/58613 | context_iri | ef:agent/default_context_mapping | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v4 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v5 |
| ef:activity/change/20260820T0738569779880000/213414 | unit_iri | ef:agent/unit_normalization | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v5 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v6 |
| ef:activity/change/20260820T0738569779880000/221144 | prefLabel | ef:agent/normalize_name_case | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v6 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v7 |
| ef:activity/change/20260820T0738569779880000/226719 | ec_numbers | ef:agent/ec_cross_check | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v7 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v8 |
| ef:activity/change/20260820T0738569779880000/227385 | properties | ef:agent/enrich_references | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v8 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v9 |
| ef:activity/change/20260820T0738569779880000/227386 | skos_definition | ef:agent/enrich_references | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v9 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v10 |
| ef:activity/change/20260820T0738569779880000/227387 | references | ef:agent/enrich_references | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v10 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v11 |
| ef:activity/change/20260820T0738569779880000/248374 | properties | ef:agent/rdkit_pre_consensus | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v11 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v12 |
| ef:activity/change/20260820T0738569779880000/254414 | altLabel | ef:agent/chebi_altlabels | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v12 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v13 |
| ef:activity/change/20260820T0738569779880000/263459 | altLabel | ef:agent/consensus_match | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v13 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v14 |
| ef:activity/change/20260820T0738569779880000/263460 | cas_match_labels | ef:agent/consensus_match | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v14 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v15 |
| ef:activity/change/20260820T0738569779880000/273516 | properties | ef:agent/opsin_iupac | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v15 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v16 |
| ef:activity/change/20260820T0738569779880000/279870 | properties | ef:agent/rdkit_post_consensus | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v16 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v17 |
| ef:activity/change/20260820T0738569779880000/286730 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v17 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v18 |
| ef:activity/change/20260820T0738569779880000/287314 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v18 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v19 |
| ef:activity/change/20260820T0738569779880000/310348 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v19 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v20 |
| ef:activity/change/20260820T0738569779880000/387795 | properties | ef:agent/normalise_property_values | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v20 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v21 |
| ef:activity/change/20260820T0738569779880000/394273 | types | ef:agent/link_flows_to_their_substance | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v21 | ef:flow/20c50eda-9106-4c6f-ac98-c6c49ddb6af5/v22 |