Calcium Bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]
Everything that changed this flow. Back to the flow
a59acfb7-c13e-46ad-afac-8840fdf3e301
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_contradicted_composition | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'C.I. 13940' (registry code), 'PY 62' (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=calciumbis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'12286-66-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-73281341361c79c6: {'12286-66-7': '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 non-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 non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['12286-66-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[83010, 21115875, 44145290, 129893715, 131845966, 156592319]; selected_pubchem_cids=[156592319]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 19,341 | bootstrap_labels | prefLabel | — | [{"@value":"calcium bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]","@language":"… | Bootstrapped prefLabel from legacy name field |
| 19,342 | bootstrap_labels | name | calcium bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate] | — | Purged legacy name field to enforce prefLabel usage |
| 19,343 | bootstrap_labels | synonyms | ["organic","calciumbis[4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate]","paliotolyel… | [] | Removed legacy synonyms field in favor of structured labels |
| 148,360 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 148,361 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 219,638 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,489 | normalize_name_case | prefLabel | [{"@value":"calcium bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]","@language":"… | [{"@value":"Calcium Bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]","@language":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,166 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H16CaN4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,167 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,168 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=12286-66-7","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['12286-66-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[83010, 21115875, 44145290, 129893715, 131845966, 156592319]; selected_pubchem_cids=[156592319]; 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 |
| 253,499 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H16CaN4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H16CaN4… | rdkit_pre_consensus from 'CC1=CC=CC=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].[Ca]'; added: molecular_mass, monoisotopic_mass |
| 264,769 | consensus_match | altLabel | [] | [{"@value":"Benzenesulfonic acid, 4-[2-[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium sal… | group_key=calciumbis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]||dimension=Environmental > media=Air > indoor=Unknown; cas=12286-66-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 4-[2-[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium salt (2:1), Benzenesulfonic acid, 4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1), C.I. 13940, C.I. Pigment Yellow 62, Graphtol Yellow RL, Irgafiner Yellow E 2, Irgalite Yellow WSR, Irgaplast Yellow R, Irgaplast Yellow RS, PY 62, Paliotol Yellow K 1420, Pigment Yellow 62, Yellow K 1420; object_uuid=fo-73281341361c79c6 |
| 264,770 | consensus_match | cas_match_labels | — | {"12286-66-7":"exactMatch"} | group_key=calciumbis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'12286-66-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-73281341361c79c6: {'12286-66-7': 'exactMatch'} |
| 278,715 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H16CaN4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H16CaN4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Calcium Bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]' |
| 285,498 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H16CaN4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H16CaN4… | rdkit_post_consensus from 'CC(=O)C(N=Nc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1C.CC(=O)C(N=Nc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1C.[Ca+2]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,691 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H16CaN4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C34H30CaN8… | withhold_contradicted_composition: the registry registers [(('C', 34), ('Ca', 1), ('N', 8), ('O', 14), ('S', 2))], contradicting ['C17H16CaN4O7S'] from ['enrich_references.pubchem_semantic']; withdrew inchi2d_key_string x1, molecular_formula x1 |
| 291,143 | strip_catalogue_altlabels | altLabel | [{"@value":"Benzenesulfonic acid, 4-[2-[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium sal… | [{"@value":"Benzenesulfonic acid, 4-[2-[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium sal… | Removed 2 catalogue altLabel value(s): 'C.I. 13940' (registry code), 'PY 62' (grade code) |
| 355,202 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a59acfb7-c13e-… | associations resolved on the elementary layer |
| 393,083 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C34H30CaN8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C34H30CaN8… | typed the way the ontology types it |
| 401,859 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1554374006150000/19341 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v0 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v1 |
| ef:activity/change/20260821T1554374006150000/19342 | name | ef:agent/bootstrap_labels | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v1 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v2 |
| ef:activity/change/20260821T1554374006150000/19343 | synonyms | ef:agent/bootstrap_labels | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v2 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v3 |
| ef:activity/change/20260821T1554374006150000/148360 | context | ef:agent/default_context_mapping | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v3 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v4 |
| ef:activity/change/20260821T1554374006150000/148361 | context_iri | ef:agent/default_context_mapping | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v4 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v5 |
| ef:activity/change/20260821T1554374006150000/219638 | unit_iri | ef:agent/unit_normalization | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v5 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v6 |
| ef:activity/change/20260821T1554374006150000/225489 | prefLabel | ef:agent/normalize_name_case | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v6 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v7 |
| ef:activity/change/20260821T1554374006150000/245166 | properties | ef:agent/enrich_references | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v7 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v8 |
| ef:activity/change/20260821T1554374006150000/245167 | skos_definition | ef:agent/enrich_references | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v8 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v9 |
| ef:activity/change/20260821T1554374006150000/245168 | references | ef:agent/enrich_references | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v9 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v10 |
| ef:activity/change/20260821T1554374006150000/253499 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v10 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v11 |
| ef:activity/change/20260821T1554374006150000/264769 | altLabel | ef:agent/consensus_match | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v11 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v12 |
| ef:activity/change/20260821T1554374006150000/264770 | cas_match_labels | ef:agent/consensus_match | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v12 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v13 |
| ef:activity/change/20260821T1554374006150000/278715 | properties | ef:agent/opsin_iupac | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v13 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v14 |
| ef:activity/change/20260821T1554374006150000/285498 | properties | ef:agent/rdkit_post_consensus | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v14 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v15 |
| ef:activity/change/20260821T1554374006150000/286691 | properties | ef:agent/withhold_contradicted_composition | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v15 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v16 |
| ef:activity/change/20260821T1554374006150000/291143 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v16 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v17 |
| ef:activity/change/20260821T1554374006150000/355202 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v17 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v18 |
| ef:activity/change/20260821T1554374006150000/393083 | properties | ef:agent/normalise_property_values | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v18 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v19 |
| ef:activity/change/20260821T1554374006150000/401859 | types | ef:agent/link_flows_to_their_substance | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v19 | ef:flow/a59acfb7-c13e-46ad-afac-8840fdf3e301/v20 |