Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Everything that changed this flow. Back to the flow
007c5b12-ab12-413f-ae0e-3bfcc404c58d
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 1 catalogue altLabel value(s): 'C.I. 61203' (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=sodium1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'25797-81-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7d61f943f6d31352: {'25797-81-3': '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 water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['25797-81-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[23689115, 131851829]; selected_pubchem_cids=[131851829]; 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 |
|---|---|---|---|---|---|
| 486 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracen… | Bootstrapped prefLabel from legacy name field |
| 487 | bootstrap_labels | name | sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 488 | bootstrap_labels | synonyms | ["organic","sodium1-amino-9,10-dihydro-4-[5-[(2-hydroxyethyl)sulphamoyl]-3,4-xylidino]-9,10-dioxoanthracene-2-sulphonat… | [] | Removed legacy synonyms field in favor of structured labels |
| 26,226 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 26,227 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 213,501 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,207 | normalize_name_case | prefLabel | [{"@value":"sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracen… | [{"@value":"Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracen… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,633 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H23N3Na… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,634 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,635 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['25797-81-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[23689115, 131851829]; selected_pubchem_cids=[131851829]; 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 |
| 248,447 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H23N3Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H23N3Na… | rdkit_pre_consensus from 'CC1=CC(=CC(=C1C)S(=O)(=O)NCCO)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,693 | consensus_match | altLabel | [] | [{"@value":"2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[5-[(2-hydroxyethyl)sulfamoyl]-3,4-xylidino]-9,10-dioxo-,… | group_key=sodium1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=25797-81-3; added Common Chemistry CAS names as altLabel: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[5-[(2-hydroxyethyl)sulfamoyl]-3,4-xylidino]-9,10-dioxo-, monosodium salt, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-, monosodium salt, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-, sodium salt (1:1), Acid Blue 277, Best Acid Brilliant Blue 4R, C.I. 61203, C.I. Acid Blue 277, Chromalon Blue 4R-KLW, Erio Blue BGL, Nylosan Blue E 4R, Taitilon Blue GLF-T, Tectilon Blue 4R, Triacid Fast Blue 4RL; object_uuid=fo-7d61f943f6d31352 |
| 271,694 | consensus_match | cas_match_labels | — | {"25797-81-3":"exactMatch"} | group_key=sodium1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'25797-81-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7d61f943f6d31352: {'25797-81-3': 'exactMatch'} |
| 273,586 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H23N3Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H23N3Na… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate' |
| 279,947 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H23N3Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H22N3Na… | rdkit_post_consensus from 'Cc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc(S(=O)(=O)NCCO)c1C.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,740 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H22N3Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H22N3Na… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 287,366 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[5-[(2-hydroxyethyl)sulfamoyl]-3,4-xylidino]-9,10-dioxo-,… | [{"@value":"2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[5-[(2-hydroxyethyl)sulfamoyl]-3,4-xylidino]-9,10-dioxo-,… | Removed 1 catalogue altLabel value(s): 'C.I. 61203' (registry code) |
| 294,177 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/007c5b12-ab12-… | associations resolved on the elementary layer |
| 394,381 | 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/20260820T0738569779880000/486 | prefLabel | ef:agent/bootstrap_labels | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v0 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v1 |
| ef:activity/change/20260820T0738569779880000/487 | name | ef:agent/bootstrap_labels | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v1 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v2 |
| ef:activity/change/20260820T0738569779880000/488 | synonyms | ef:agent/bootstrap_labels | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v2 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v3 |
| ef:activity/change/20260820T0738569779880000/26226 | context | ef:agent/default_context_mapping | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v3 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v4 |
| ef:activity/change/20260820T0738569779880000/26227 | context_iri | ef:agent/default_context_mapping | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v4 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v5 |
| ef:activity/change/20260820T0738569779880000/213501 | unit_iri | ef:agent/unit_normalization | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v5 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v6 |
| ef:activity/change/20260820T0738569779880000/221207 | prefLabel | ef:agent/normalize_name_case | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v6 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v7 |
| ef:activity/change/20260820T0738569779880000/227633 | properties | ef:agent/enrich_references | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v7 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v8 |
| ef:activity/change/20260820T0738569779880000/227634 | skos_definition | ef:agent/enrich_references | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v8 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v9 |
| ef:activity/change/20260820T0738569779880000/227635 | references | ef:agent/enrich_references | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v9 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v10 |
| ef:activity/change/20260820T0738569779880000/248447 | properties | ef:agent/rdkit_pre_consensus | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v10 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v11 |
| ef:activity/change/20260820T0738569779880000/271693 | altLabel | ef:agent/consensus_match | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v11 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v12 |
| ef:activity/change/20260820T0738569779880000/271694 | cas_match_labels | ef:agent/consensus_match | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v12 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v13 |
| ef:activity/change/20260820T0738569779880000/273586 | properties | ef:agent/opsin_iupac | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v13 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v14 |
| ef:activity/change/20260820T0738569779880000/279947 | properties | ef:agent/rdkit_post_consensus | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v14 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v15 |
| ef:activity/change/20260820T0738569779880000/286740 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v15 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v16 |
| ef:activity/change/20260820T0738569779880000/287366 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v16 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v17 |
| ef:activity/change/20260820T0738569779880000/294177 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v17 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v18 |
| ef:activity/change/20260820T0738569779880000/394381 | types | ef:agent/link_flows_to_their_substance | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v18 | ef:flow/007c5b12-ab12-413f-ae0e-3bfcc404c58d/v19 |