2-[(3-aminophenyl)sulfonyl]ethyl Hydrogen Sulfate
Everything that changed this flow. Back to the flow
df3feb91-feab-4ca4-bbb5-d7ce81269b37
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-[(3-aminophenyl)sulfonyl]ethylhydrogensulfate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'2494-88-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b7873067e9f75368: {'2494-88-4': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2494-88-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[75614, 90466]; selected_pubchem_cids=[75614]; 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 |
|---|---|---|---|---|---|
| 13,879 | bootstrap_labels | prefLabel | — | [{"@value":"2-[(3-aminophenyl)sulfonyl]ethyl hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | Bootstrapped prefLabel from legacy name field |
| 13,880 | bootstrap_labels | name | 2-[(3-aminophenyl)sulfonyl]ethyl hydrogen sulfate | — | Purged legacy name field to enforce prefLabel usage |
| 13,881 | bootstrap_labels | synonyms | ["organic","2-[(3-aminophenyl)sulphonyl]hydrogensulphate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 182,766 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 182,767 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 217,924 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,308 | normalize_name_case | prefLabel | [{"@value":"2-[(3-aminophenyl)sulfonyl]ethyl hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | [{"@value":"2-[(3-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) |
| 240,326 | 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) |
| 240,327 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,328 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.665C","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['2494-88-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[75614, 90466]; selected_pubchem_cids=[75614]; 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 |
| 252,099 | 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(=C1)S(=O)(=O)CCOS(=O)(=O)O)N'; added: molecular_mass, monoisotopic_mass |
| 260,403 | consensus_match | altLabel | [] | [{"@value":"3-(2-Sulfatoethylsulfonyl)aniline","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | group_key=2-[(3-aminophenyl)sulfonyl]ethylhydrogensulfate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=2494-88-4; added Common Chemistry CAS names as altLabel: 3-(2-Sulfatoethylsulfonyl)aniline, 3-(β-Sulfatoethylsulfonyl)aniline, 3-Aminophenyl 2-sulfatoethyl sulfone, 3-Aminophenyl β-sulfatoethyl sulfone, <em>m</em>-(2-Sulfatoethylsulfonyl)aniline, <em>m</em>-(β-Sulfatoethylsulfonyl)aniline, <em>m</em>-Aminophenyl β-sulfatoethyl sulfone, Ethanol, 2-[(3-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate), Ethanol, 2-[(3-aminophenyl)sulfonyl]-, hydrogen sulfate (ester), Ethanol, 2-metanilyl-, hydrogen sulfate, Ethanol, 2-metanilyl-, hydrogen sulfate (ester), β-Sulfatoethyl <em>m</em>-aminophenyl sulfone; object_uuid=fo-b7873067e9f75368 |
| 260,404 | consensus_match | cas_match_labels | — | {"2494-88-4":"exactMatch"} | group_key=2-[(3-aminophenyl)sulfonyl]ethylhydrogensulfate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'2494-88-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b7873067e9f75368: {'2494-88-4': 'exactMatch'} |
| 277,293 | 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-[(3-aminophenyl)sulfonyl]ethyl Hydrogen Sulfate' |
| 283,965 | 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 'Nc1cccc(S(=O)(=O)CCOS(=O)(=O)O)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,718 | dedupe_altlabels | altLabel | [{"@value":"3-(2-Sulfatoethylsulfonyl)aniline","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | [{"@value":"3-(2-Sulfatoethylsulfonyl)aniline","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | Deduplicated altLabel values and removed entries matching prefLabel |
| 372,407 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/df3feb91-feab-… | associations resolved on the elementary layer |
| 391,646 | 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 |
| 399,773 | 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/20260821T1122181958110000/13879 | prefLabel | ef:agent/bootstrap_labels | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v0 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v1 |
| ef:activity/change/20260821T1122181958110000/13880 | name | ef:agent/bootstrap_labels | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v1 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v2 |
| ef:activity/change/20260821T1122181958110000/13881 | synonyms | ef:agent/bootstrap_labels | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v2 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v3 |
| ef:activity/change/20260821T1122181958110000/182766 | context | ef:agent/default_context_mapping | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v3 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v4 |
| ef:activity/change/20260821T1122181958110000/182767 | context_iri | ef:agent/default_context_mapping | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v4 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v5 |
| ef:activity/change/20260821T1122181958110000/217924 | unit_iri | ef:agent/unit_normalization | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v5 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v6 |
| ef:activity/change/20260821T1122181958110000/224308 | prefLabel | ef:agent/normalize_name_case | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v6 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v7 |
| ef:activity/change/20260821T1122181958110000/240326 | properties | ef:agent/enrich_references | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v7 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v8 |
| ef:activity/change/20260821T1122181958110000/240327 | skos_definition | ef:agent/enrich_references | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v8 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v9 |
| ef:activity/change/20260821T1122181958110000/240328 | references | ef:agent/enrich_references | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v9 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v10 |
| ef:activity/change/20260821T1122181958110000/252099 | properties | ef:agent/rdkit_pre_consensus | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v10 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v11 |
| ef:activity/change/20260821T1122181958110000/260403 | altLabel | ef:agent/consensus_match | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v11 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v12 |
| ef:activity/change/20260821T1122181958110000/260404 | cas_match_labels | ef:agent/consensus_match | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v12 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v13 |
| ef:activity/change/20260821T1122181958110000/277293 | properties | ef:agent/opsin_iupac | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v13 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v14 |
| ef:activity/change/20260821T1122181958110000/283965 | properties | ef:agent/rdkit_post_consensus | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v14 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v15 |
| ef:activity/change/20260821T1122181958110000/292718 | altLabel | ef:agent/dedupe_altlabels | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v15 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v16 |
| ef:activity/change/20260821T1122181958110000/372407 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v16 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v17 |
| ef:activity/change/20260821T1122181958110000/391646 | properties | ef:agent/normalise_property_values | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v17 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v18 |
| ef:activity/change/20260821T1122181958110000/399773 | types | ef:agent/link_flows_to_their_substance | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v18 | ef:flow/df3feb91-feab-4ca4-bbb5-d7ce81269b37/v19 |