Dihydrogen (ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, Aluminium Salt
Everything that changed this flow. Back to the flow
a339c9a2-f8f8-49fa-9355-21bff122c19b
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, 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): 'SWD 4733' (grade 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=dihydrogen(ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium,aluminiumsalt||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'68921-42-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-46f62b24e2ceda3b: {'68921-42-6': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['68921-42-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[17560, 123671, 3540259, 11979396, 56841154, 129894326, 176448424]; selected_pubchem_cids=[56841154, 176448424]; 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 |
|---|---|---|---|---|---|
| 10,384 | bootstrap_labels | prefLabel | — | [{"@value":"dihydrogen (ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohexa-2,5… | Bootstrapped prefLabel from legacy name field |
| 10,385 | bootstrap_labels | name | dihydrogen (ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylid… | — | Purged legacy name field to enforce prefLabel usage |
| 10,386 | bootstrap_labels | synonyms | ["organometallic","dihydrogen(ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohe… | [] | Removed legacy synonyms field in favor of structured labels |
| 146,966 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 146,967 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 216,786 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,525 | normalize_name_case | prefLabel | [{"@value":"dihydrogen (ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohexa-2,5… | [{"@value":"Dihydrogen (ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohexa-2,5… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,076 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C37H36AlN2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 237,077 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,078 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.066.288","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['68921-42-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[17560, 123671, 3540259, 11979396, 56841154, 129894326, 176448424]; selected_pubchem_cids=[56841154, 176448424]; 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 |
| 251,157 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C37H36AlN2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C37H36AlN2… | rdkit_pre_consensus from 'CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Al]'; added: molecular_mass, monoisotopic_mass |
| 265,982 | consensus_match | altLabel | [] | [{"@value":"Benzenemethanaminium, <em>N</em>-ethyl-<em>N</em>-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfo… | group_key=dihydrogen(ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium,aluminiumsalt||dimension=Environmental > media=Water > water_body=Ocean; cas=68921-42-6; added Common Chemistry CAS names as altLabel: Benzenemethanaminium, <em>N</em>-ethyl-<em>N</em>-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, aluminum salt, Benzenemethanaminium, <em>N</em>-ethyl-<em>N</em>-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, aluminum salt, Benzenemethanaminium, <em>N</em>-ethyl-<em>N</em>-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, aluminum salt (1:?), Blue 1 lake, Blue No. 1 aluminum lake, Brilliant Blue FCF Lake, Brilliant Blue FCF aluminum lake, Brilliant Blue FCF-L, Brilliant blue aluminum lake, C.I. 42090:2, C.I. Food Blue 2 aluminum lake, C.I. Food Blue 2:1, C.I. Pigment Blue 78, D&C Blue No. 1 aluminum lake, FD and C Blue No. 1 Lake, FD&C Blue #1 Aluminum Lake, FD&C Blue No. 1 aluminum lake, Japan Blue 1 aluminum lake, Lake Brilliant Blue, Pigment Blue 78, SWD 4733, SunCroma FD&C Blue 1 Al Lake; object_uuid=fo-46f62b24e2ceda3b |
| 265,983 | consensus_match | cas_match_labels | — | {"68921-42-6":"exactMatch"} | group_key=dihydrogen(ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium,aluminiumsalt||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'68921-42-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-46f62b24e2ceda3b: {'68921-42-6': 'exactMatch'} |
| 282,937 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C37H36AlN2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C37H36AlN2… | rdkit_post_consensus from 'CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Al]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,414 | strip_catalogue_altlabels | altLabel | [{"@value":"Benzenemethanaminium, <em>N</em>-ethyl-<em>N</em>-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfo… | [{"@value":"Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-… | Removed 1 catalogue altLabel value(s): 'SWD 4733' (grade code) |
| 354,505 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a339c9a2-f8f8-… | associations resolved on the elementary layer |
| 390,689 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C37H36AlN2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C37H36AlN2… | typed the way the ontology types it |
| 398,425 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260822T0600486828500000/10384 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v0 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v1 |
| ef:activity/change/20260822T0600486828500000/10385 | name | ef:agent/bootstrap_labels | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v1 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v2 |
| ef:activity/change/20260822T0600486828500000/10386 | synonyms | ef:agent/bootstrap_labels | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v2 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v3 |
| ef:activity/change/20260822T0600486828500000/146966 | context | ef:agent/default_context_mapping | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v3 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v4 |
| ef:activity/change/20260822T0600486828500000/146967 | context_iri | ef:agent/default_context_mapping | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v4 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v5 |
| ef:activity/change/20260822T0600486828500000/216786 | unit_iri | ef:agent/unit_normalization | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v5 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v6 |
| ef:activity/change/20260822T0600486828500000/223525 | prefLabel | ef:agent/normalize_name_case | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v6 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v7 |
| ef:activity/change/20260822T0600486828500000/237076 | properties | ef:agent/enrich_references | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v7 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v8 |
| ef:activity/change/20260822T0600486828500000/237077 | skos_definition | ef:agent/enrich_references | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v8 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v9 |
| ef:activity/change/20260822T0600486828500000/237078 | references | ef:agent/enrich_references | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v9 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v10 |
| ef:activity/change/20260822T0600486828500000/251157 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v10 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v11 |
| ef:activity/change/20260822T0600486828500000/265982 | altLabel | ef:agent/consensus_match | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v11 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v12 |
| ef:activity/change/20260822T0600486828500000/265983 | cas_match_labels | ef:agent/consensus_match | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v12 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v13 |
| ef:activity/change/20260822T0600486828500000/282937 | properties | ef:agent/rdkit_post_consensus | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v13 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v14 |
| ef:activity/change/20260822T0600486828500000/289414 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v14 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v15 |
| ef:activity/change/20260822T0600486828500000/354505 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v15 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v16 |
| ef:activity/change/20260822T0600486828500000/390689 | properties | ef:agent/normalise_property_values | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v16 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v17 |
| ef:activity/change/20260822T0600486828500000/398425 | types | ef:agent/link_flows_to_their_substance | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v17 | ef:flow/a339c9a2-f8f8-49fa-9355-21bff122c19b/v18 |