2-[(4-aminophenyl)sulfonyl]ethyl Hydrogen Sulfate
Everything that changed this flow. Back to the flow
dcbc7e8c-eb82-44bf-86c6-11ffc68eecee
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=2-[(4-aminophenyl)sulfonyl]ethylhydrogensulfate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2494-89-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-99e4b0aee42daa0f: {'2494-89-5': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2494-89-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[75615, 286018, 21424586, 91927784]; selected_pubchem_cids=[75615]; 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 |
|---|---|---|---|---|---|
| 6,672 | bootstrap_labels | prefLabel | — | [{"@value":"2-[(4-aminophenyl)sulfonyl]ethyl hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | Bootstrapped prefLabel from legacy name field |
| 6,673 | bootstrap_labels | name | 2-[(4-aminophenyl)sulfonyl]ethyl hydrogen sulfate | — | Purged legacy name field to enforce prefLabel usage |
| 6,674 | bootstrap_labels | synonyms | ["organic","2-[(p-aminophenyl)sulphonyl]ethylhydrogensulphate","1-aminobenzol-(4-(beta-hydroxyethyl))-sulfon,schwefelsa… | [] | Removed legacy synonyms field in favor of structured labels |
| 181,350 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 181,351 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 215,567 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,623 | normalize_name_case | prefLabel | [{"@value":"2-[(4-aminophenyl)sulfonyl]ethyl hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | [{"@value":"2-[(4-aminophenyl)sulfonyl]ethyl Hydrogen Sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,582 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO6S2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,583 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,584 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.676I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['2494-89-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[75615, 286018, 21424586, 91927784]; selected_pubchem_cids=[75615]; 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 |
| 250,162 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO6S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO6S2… | rdkit_pre_consensus from 'C1=CC(=CC=C1N)S(=O)(=O)CCOS(=O)(=O)O'; added: molecular_mass, monoisotopic_mass |
| 260,407 | consensus_match | altLabel | [] | [{"@value":"1-Aminobenzene-4-(2-sulfatoethyl)sulfone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=2-[(4-aminophenyl)sulfonyl]ethylhydrogensulfate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=2494-89-5; added Common Chemistry CAS names as altLabel: 1-Aminobenzene-4-(2-sulfatoethyl)sulfone, 1-Aminobenzene-4-β-sulfatoethylsulfone, 2-(4-Aminobenzenesulfonyl)ethyl sulfate, 2-(4-Aminophenylsulfonyl)ethyl bisulfate, 2-[(<em>p</em>-Aminophenyl)sulfonyl]ethyl hydrogen sulfate, 4-(2-Sulfatoethylsulfonyl)aniline, 4-(Ethylsulfuratesulfonyl) aniline, 4-(β-Sulfatoethylsulfonyl)aniline, 4-Amino-1-β-sulfatoethylsulfonylbenzene, 4-Aminophenyl 2-sulfatoethyl sulfone, 4-Aminophenyl β-hydroxyethyl sulfone sulfate ester, 4-Aminophenyl β-sulfatoethyl sulfone, 4-[(β-Sulfooxyethyl)sulfonyl]aniline, <em>p</em>-(2-Sulfatoethylsulfonyl)aniline, <em>p</em>-(β-Sulfatoethylsulfonyl)aniline, <em>p</em>-Aminophenyl 2-sulfatoethyl sulfone, <em>p</em>-Aminophenyl β-sulfatoethyl sulfone, Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate), Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester), Ethanol, 2-sulfanilyl-, hydrogen sulfate, Ethanol, 2-sulfanilyl-, hydrogen sulfate (ester), Para Base Sulfate, [2-[(4-Aminobenzene)sulfonyl]ethoxy]sulfonic acid; object_uuid=fo-99e4b0aee42daa0f |
| 260,408 | consensus_match | cas_match_labels | — | {"2494-89-5":"exactMatch"} | group_key=2-[(4-aminophenyl)sulfonyl]ethylhydrogensulfate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2494-89-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-99e4b0aee42daa0f: {'2494-89-5': 'exactMatch'} |
| 275,297 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO6S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO6S2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-[(4-aminophenyl)sulfonyl]ethyl Hydrogen Sulfate' |
| 281,806 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO6S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO6S2… | rdkit_post_consensus from 'Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,324 | dedupe_altlabels | altLabel | [{"@value":"1-Aminobenzene-4-(2-sulfatoethyl)sulfone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"1-Aminobenzene-4-(2-sulfatoethyl)sulfone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Deduplicated altLabel values and removed entries matching prefLabel |
| 371,701 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/dcbc7e8c-eb82-… | associations resolved on the elementary layer |
| 389,601 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO6S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO6S2… | typed the way the ontology types it |
| 396,824 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1302361922970000/6672 | prefLabel | ef:agent/bootstrap_labels | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v0 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v1 |
| ef:activity/change/20260821T1302361922970000/6673 | name | ef:agent/bootstrap_labels | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v1 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v2 |
| ef:activity/change/20260821T1302361922970000/6674 | synonyms | ef:agent/bootstrap_labels | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v2 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v3 |
| ef:activity/change/20260821T1302361922970000/181350 | context | ef:agent/default_context_mapping | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v3 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v4 |
| ef:activity/change/20260821T1302361922970000/181351 | context_iri | ef:agent/default_context_mapping | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v4 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v5 |
| ef:activity/change/20260821T1302361922970000/215567 | unit_iri | ef:agent/unit_normalization | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v5 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v6 |
| ef:activity/change/20260821T1302361922970000/222623 | prefLabel | ef:agent/normalize_name_case | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v6 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v7 |
| ef:activity/change/20260821T1302361922970000/233582 | properties | ef:agent/enrich_references | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v7 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v8 |
| ef:activity/change/20260821T1302361922970000/233583 | skos_definition | ef:agent/enrich_references | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v8 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v9 |
| ef:activity/change/20260821T1302361922970000/233584 | references | ef:agent/enrich_references | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v9 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v10 |
| ef:activity/change/20260821T1302361922970000/250162 | properties | ef:agent/rdkit_pre_consensus | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v10 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v11 |
| ef:activity/change/20260821T1302361922970000/260407 | altLabel | ef:agent/consensus_match | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v11 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v12 |
| ef:activity/change/20260821T1302361922970000/260408 | cas_match_labels | ef:agent/consensus_match | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v12 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v13 |
| ef:activity/change/20260821T1302361922970000/275297 | properties | ef:agent/opsin_iupac | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v13 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v14 |
| ef:activity/change/20260821T1302361922970000/281806 | properties | ef:agent/rdkit_post_consensus | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v14 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v15 |
| ef:activity/change/20260821T1302361922970000/292324 | altLabel | ef:agent/dedupe_altlabels | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v15 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v16 |
| ef:activity/change/20260821T1302361922970000/371701 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v16 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v17 |
| ef:activity/change/20260821T1302361922970000/389601 | properties | ef:agent/normalise_property_values | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v17 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v18 |
| ef:activity/change/20260821T1302361922970000/396824 | types | ef:agent/link_flows_to_their_substance | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v18 | ef:flow/dcbc7e8c-eb82-44bf-86c6-11ffc68eecee/v19 |