Calcium Bis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate)
Everything that changed this flow. Back to the flow
ff3f2913-72d0-443a-925f-a1d76aeefdfa
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=calciumbis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate)||dimension=Environmental > media=Water > water_body=Surface water; cas=12286-65-6; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 3-nitro-4-[2-[2-oxo-1-[(phenylamino)carbonyl]propyl]diazenyl]-, calcium salt (2:1), Benzenesulfonic acid, 3-nitro-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-, calcium salt (2:1), C.I. Pigment Yellow 61, Graphtol Yellow 3GL, Helio Fast Yellow Toner 6B, Irgalite Yellow WSC, Irgalite Yellow WSG, Irgaplast Yellow GL, Pigment yellow 61; object_uuid=fo-3c0199bd9b084895 |
| cas_match_labels | 1 | consensus_match | group_key=calciumbis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'12286-65-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3c0199bd9b084895: {'12286-65-6': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['12286-65-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[44145290, 129893715, 138395922]; selected_pubchem_cids=[44145290, 129893715, 138395922]; 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 |
|---|---|---|---|---|---|
| 20,226 | bootstrap_labels | prefLabel | — | [{"@value":"calcium bis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate)","@language":"en","sourc… | Bootstrapped prefLabel from legacy name field |
| 20,227 | bootstrap_labels | name | calcium bis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate) | — | Purged legacy name field to enforce prefLabel usage |
| 20,228 | bootstrap_labels | synonyms | ["organic","calciumbis[3-nitro-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenesulphonate]"] | [] | Removed legacy synonyms field in favor of structured labels |
| 212,884 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 212,885 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 219,897 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,677 | normalize_name_case | prefLabel | [{"@value":"calcium bis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate)","@language":"en","sourc… | [{"@value":"Calcium Bis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate)","@language":"en","sourc… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,892 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H26CaN8… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=3) |
| 245,893 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,894 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.654I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['12286-65-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[44145290, 129893715, 138395922]; selected_pubchem_cids=[44145290, 129893715, 138395922]; 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 |
| 253,710 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H26CaN8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H26CaN8… | rdkit_pre_consensus from 'CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].[Ca]'; added: molecular_mass, monoisotopic_mass |
| 264,761 | consensus_match | altLabel | [] | [{"@value":"Benzenesulfonic acid, 3-nitro-4-[2-[2-oxo-1-[(phenylamino)carbonyl]propyl]diazenyl]-, calcium salt (2:1)","… | group_key=calciumbis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate)||dimension=Environmental > media=Water > water_body=Surface water; cas=12286-65-6; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 3-nitro-4-[2-[2-oxo-1-[(phenylamino)carbonyl]propyl]diazenyl]-, calcium salt (2:1), Benzenesulfonic acid, 3-nitro-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-, calcium salt (2:1), C.I. Pigment Yellow 61, Graphtol Yellow 3GL, Helio Fast Yellow Toner 6B, Irgalite Yellow WSC, Irgalite Yellow WSG, Irgaplast Yellow GL, Pigment yellow 61; object_uuid=fo-3c0199bd9b084895 |
| 264,762 | consensus_match | cas_match_labels | — | {"12286-65-6":"exactMatch"} | group_key=calciumbis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'12286-65-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3c0199bd9b084895: {'12286-65-6': 'exactMatch'} |
| 278,923 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H26CaN8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H26CaN8… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Calcium Bis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate)' |
| 285,732 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H26CaN8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H26CaN8… | rdkit_post_consensus from 'CC(=O)C(N=Nc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1.CC(=O)C(N=Nc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1.[Ca+2]'; added: molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula |
| 287,168 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H26CaN8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H26CaN8… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| 387,485 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ff3f2913-72d0-… | associations resolved on the elementary layer |
| 402,192 | 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/20260821T1554374006150000/20226 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v0 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v1 |
| ef:activity/change/20260821T1554374006150000/20227 | name | ef:agent/bootstrap_labels | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v1 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v2 |
| ef:activity/change/20260821T1554374006150000/20228 | synonyms | ef:agent/bootstrap_labels | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v2 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v3 |
| ef:activity/change/20260821T1554374006150000/212884 | context | ef:agent/default_context_mapping | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v3 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v4 |
| ef:activity/change/20260821T1554374006150000/212885 | context_iri | ef:agent/default_context_mapping | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v4 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v5 |
| ef:activity/change/20260821T1554374006150000/219897 | unit_iri | ef:agent/unit_normalization | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v5 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v6 |
| ef:activity/change/20260821T1554374006150000/225677 | prefLabel | ef:agent/normalize_name_case | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v6 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v7 |
| ef:activity/change/20260821T1554374006150000/245892 | properties | ef:agent/enrich_references | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v7 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v8 |
| ef:activity/change/20260821T1554374006150000/245893 | skos_definition | ef:agent/enrich_references | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v8 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v9 |
| ef:activity/change/20260821T1554374006150000/245894 | references | ef:agent/enrich_references | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v9 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v10 |
| ef:activity/change/20260821T1554374006150000/253710 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v10 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v11 |
| ef:activity/change/20260821T1554374006150000/264761 | altLabel | ef:agent/consensus_match | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v11 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v12 |
| ef:activity/change/20260821T1554374006150000/264762 | cas_match_labels | ef:agent/consensus_match | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v12 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v13 |
| ef:activity/change/20260821T1554374006150000/278923 | properties | ef:agent/opsin_iupac | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v13 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v14 |
| ef:activity/change/20260821T1554374006150000/285732 | properties | ef:agent/rdkit_post_consensus | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v14 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v15 |
| ef:activity/change/20260821T1554374006150000/287168 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v15 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v16 |
| ef:activity/change/20260821T1554374006150000/387485 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v16 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v17 |
| ef:activity/change/20260821T1554374006150000/402192 | types | ef:agent/link_flows_to_their_substance | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v17 | ef:flow/ff3f2913-72d0-443a-925f-a1d76aeefdfa/v18 |