Disodium 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate
Everything that changed this flow. Back to the flow
21f9387a-b0ae-4227-a3ef-7779b4925f0e
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 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'C.I. 18134' (registry code), 'Vicoacid Red 249' (trade name) |
| 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=disodium3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'6416-66-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a1cb2c20c08832ad: {'6416-66-6': '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=['6416-66-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[160832, 101586678, 137205097, 156592328, 163322596]; selected_pubchem_cids=[137205097]; 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 |
|---|---|---|---|---|---|
| 12,493 | bootstrap_labels | prefLabel | — | [{"@value":"disodium 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphon… | Bootstrapped prefLabel from legacy name field |
| 12,494 | bootstrap_labels | name | disodium 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate | — | Purged legacy name field to enforce prefLabel usage |
| 12,495 | bootstrap_labels | synonyms | ["organic","disodium3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphona… | [] | Removed legacy synonyms field in favor of structured labels |
| 59,307 | 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) |
| 59,308 | 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) |
| 217,476 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,990 | normalize_name_case | prefLabel | [{"@value":"disodium 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphon… | [{"@value":"Disodium 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphon… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,052 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H22ClN3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,053 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,054 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=6416-66-6","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['6416-66-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[160832, 101586678, 137205097, 156592328, 163322596]; selected_pubchem_cids=[137205097]; 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 |
| 251,735 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H22ClN3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H22ClN3… | rdkit_pre_consensus from 'CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C5)S(=O)(=O)O.[Na].[Na]'; added: molecular_mass, monoisotopic_mass |
| 266,361 | consensus_match | altLabel | [] | [{"@value":"2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]am… | group_key=disodium3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=6416-66-6; added Common Chemistry CAS names as altLabel: 2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, disodium salt, 2,7-Naphthalenedisulfonic acid, 3-[2-(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, sodium salt (1:2), Acid Brilliant Red B, Acid Red 249, Anadurm Brilliant Red M-B, Benzyl Fast Rubine 2B, Best Acid Milling Red 2B, Best Acid Red 2B, Brilliant Milling Red 2B, Brilliant Milling Red B, Brilliant Red B, C.I. 18134, C.I. Acid Red 249, Chuganol Milling Brilliant Red B Conc, Colomill Red 2BN, Concorde Acid Red 2B, Dycosweak Acid Brilliant Red B, Dynacid Red BM, Elbenyl Red C 2B, Elite Fast Brilliant Red B, Euroderm Red 2BL, Everacid Red B, Everacid Red N-B, Kenanthrol Red BN, Milling Brilliant Red M 2BN, Naphthazine Milling Brilliant Red BN, Polar Brilliant Red B, Polar Red B, Pro-Jet Magenta 1, Pro-Jet Magneta 1, Pula Red B, Sandolan Brilliant Red N-BG, Sandolan Brilliant Red N-BG 125, Sulfonine Brilliant Red B, Sulfonine Brilliant Red BG, Suminol Milling Brilliant Red B, Supranol Brilliant Red BB, Synoacid Red F-B, Tertracid Brilliant Milling Red, Tertracid Brilliant Milling Red 2B, Tracid Brilliant Red B, Triacid Fast Red 2BN, Vicoacid Red 249, Weak Acid Brilliant Red B; object_uuid=fo-a1cb2c20c08832ad |
| 266,362 | consensus_match | cas_match_labels | — | {"6416-66-6":"exactMatch"} | group_key=disodium3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'6416-66-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a1cb2c20c08832ad: {'6416-66-6': 'exactMatch'} |
| 276,923 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H22ClN3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H22ClN3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Disodium 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate' |
| 283,571 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H22ClN3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H20ClN3… | rdkit_post_consensus from 'Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(N=Nc4cc(Cl)ccc4Oc4ccccc4)c(O)c23)cc1.[Na+].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,010 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H20ClN3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H20ClN3… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,844 | strip_catalogue_altlabels | altLabel | [{"@value":"2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]am… | [{"@value":"2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]am… | Removed 2 catalogue altLabel value(s): 'C.I. 18134' (registry code), 'Vicoacid Red 249' (trade name) |
| 310,713 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/21f9387a-b0ae-… | associations resolved on the elementary layer |
| 399,265 | 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/20261019T0712047113160000/12493 | prefLabel | ef:agent/bootstrap_labels | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v0 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v1 |
| ef:activity/change/20261019T0712047113160000/12494 | name | ef:agent/bootstrap_labels | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v1 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v2 |
| ef:activity/change/20261019T0712047113160000/12495 | synonyms | ef:agent/bootstrap_labels | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v2 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v3 |
| ef:activity/change/20261019T0712047113160000/59307 | context | ef:agent/default_context_mapping | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v3 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v4 |
| ef:activity/change/20261019T0712047113160000/59308 | context_iri | ef:agent/default_context_mapping | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v4 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v5 |
| ef:activity/change/20261019T0712047113160000/217476 | unit_iri | ef:agent/unit_normalization | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v5 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v6 |
| ef:activity/change/20261019T0712047113160000/223990 | prefLabel | ef:agent/normalize_name_case | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v6 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v7 |
| ef:activity/change/20261019T0712047113160000/239052 | properties | ef:agent/enrich_references | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v7 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v8 |
| ef:activity/change/20261019T0712047113160000/239053 | skos_definition | ef:agent/enrich_references | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v8 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v9 |
| ef:activity/change/20261019T0712047113160000/239054 | references | ef:agent/enrich_references | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v9 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v10 |
| ef:activity/change/20261019T0712047113160000/251735 | properties | ef:agent/rdkit_pre_consensus | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v10 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v11 |
| ef:activity/change/20261019T0712047113160000/266361 | altLabel | ef:agent/consensus_match | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v11 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v12 |
| ef:activity/change/20261019T0712047113160000/266362 | cas_match_labels | ef:agent/consensus_match | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v12 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v13 |
| ef:activity/change/20261019T0712047113160000/276923 | properties | ef:agent/opsin_iupac | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v13 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v14 |
| ef:activity/change/20261019T0712047113160000/283571 | properties | ef:agent/rdkit_post_consensus | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v14 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v15 |
| ef:activity/change/20261019T0712047113160000/287010 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v15 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v16 |
| ef:activity/change/20261019T0712047113160000/289844 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v16 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v17 |
| ef:activity/change/20261019T0712047113160000/310713 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v17 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v18 |
| ef:activity/change/20261019T0712047113160000/399265 | types | ef:agent/link_flows_to_their_substance | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v18 | ef:flow/21f9387a-b0ae-4227-a3ef-7779b4925f0e/v19 |