Sodium M-(diethylamino)benzenesulphonate
Everything that changed this flow. Back to the flow
2bc9b6e1-8fe0-4883-8c68-04be52a6e448
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, 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=sodiumm-(diethylamino)benzenesulphonate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5123-63-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a4458cde0a3c9301: {'5123-63-7': '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=['5123-63-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[107346, 23669136, 88363636]; selected_pubchem_cids=[88363636]; 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 |
|---|---|---|---|---|---|
| 19,555 | bootstrap_labels | prefLabel | — | [{"@value":"sodium m-(diethylamino)benzenesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Bootstrapped prefLabel from legacy name field |
| 19,556 | bootstrap_labels | name | sodium m-(diethylamino)benzenesulphonate | — | Purged legacy name field to enforce prefLabel usage |
| 19,557 | bootstrap_labels | synonyms | ["3-(Diethylamino)benzenesulfonic acid sodium salt","AC1Q1VFF","Benzenesulfonic acid, 3-(diethylamino)-, sodium salt","… | [] | Removed legacy synonyms field in favor of structured labels |
| 66,018 | 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) |
| 66,019 | 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) |
| 219,699 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,527 | normalize_name_case | prefLabel | [{"@value":"sodium m-(diethylamino)benzenesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | [{"@value":"Sodium M-(diethylamino)benzenesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,342 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NNaO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,343 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,344 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=5123-63-7","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['5123-63-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[107346, 23669136, 88363636]; selected_pubchem_cids=[88363636]; 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 |
| 253,553 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NNaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NNaO… | rdkit_pre_consensus from 'CCN(CC)C1=CC(=CC=C1)S(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,955 | consensus_match | altLabel | [] | [{"@value":"Benzenesulfonic acid, 3-(diethylamino)-, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"con… | group_key=sodiumm-(diethylamino)benzenesulphonate||dimension=Environmental > media=Water > water_body=Ocean; cas=5123-63-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 3-(diethylamino)-, sodium salt, Benzenesulfonic acid, 3-(diethylamino)-, sodium salt (1:1), Metanilic acid, <em>N</em>,<em>N</em>-diethyl-, sodium salt, Sodium <em>N</em>,<em>N</em>-diethylmetanilate; object_uuid=fo-a4458cde0a3c9301 |
| 271,956 | consensus_match | cas_match_labels | — | {"5123-63-7":"exactMatch"} | group_key=sodiumm-(diethylamino)benzenesulphonate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5123-63-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a4458cde0a3c9301: {'5123-63-7': 'exactMatch'} |
| 278,771 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NNaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NNaO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium M-(diethylamino)benzenesulphonate' |
| 285,555 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NNaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H14NNaO… | rdkit_post_consensus from 'CCN(CC)c1cccc(S(=O)(=O)[O-])c1.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,156 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H14NNaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H14NNaO… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 293,043 | dedupe_altlabels | altLabel | [{"@value":"Benzenesulfonic acid, 3-(diethylamino)-, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"con… | [{"@value":"Benzenesulfonic acid, 3-(diethylamino)-, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"con… | Deduplicated altLabel values and removed entries matching prefLabel |
| 314,026 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2bc9b6e1-8fe0-… | associations resolved on the elementary layer |
| 401,935 | 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/20260821T1554374006150000/19555 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v0 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v1 |
| ef:activity/change/20260821T1554374006150000/19556 | name | ef:agent/bootstrap_labels | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v1 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v2 |
| ef:activity/change/20260821T1554374006150000/19557 | synonyms | ef:agent/bootstrap_labels | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v2 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v3 |
| ef:activity/change/20260821T1554374006150000/66018 | context | ef:agent/default_context_mapping | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v3 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v4 |
| ef:activity/change/20260821T1554374006150000/66019 | context_iri | ef:agent/default_context_mapping | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v4 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v5 |
| ef:activity/change/20260821T1554374006150000/219699 | unit_iri | ef:agent/unit_normalization | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v5 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v6 |
| ef:activity/change/20260821T1554374006150000/225527 | prefLabel | ef:agent/normalize_name_case | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v6 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v7 |
| ef:activity/change/20260821T1554374006150000/245342 | properties | ef:agent/enrich_references | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v7 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v8 |
| ef:activity/change/20260821T1554374006150000/245343 | skos_definition | ef:agent/enrich_references | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v8 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v9 |
| ef:activity/change/20260821T1554374006150000/245344 | references | ef:agent/enrich_references | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v9 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v10 |
| ef:activity/change/20260821T1554374006150000/253553 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v10 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v11 |
| ef:activity/change/20260821T1554374006150000/271955 | altLabel | ef:agent/consensus_match | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v11 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v12 |
| ef:activity/change/20260821T1554374006150000/271956 | cas_match_labels | ef:agent/consensus_match | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v12 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v13 |
| ef:activity/change/20260821T1554374006150000/278771 | properties | ef:agent/opsin_iupac | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v13 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v14 |
| ef:activity/change/20260821T1554374006150000/285555 | properties | ef:agent/rdkit_post_consensus | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v14 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v15 |
| ef:activity/change/20260821T1554374006150000/287156 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v15 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v16 |
| ef:activity/change/20260821T1554374006150000/293043 | altLabel | ef:agent/dedupe_altlabels | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v16 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v17 |
| ef:activity/change/20260821T1554374006150000/314026 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v17 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v18 |
| ef:activity/change/20260821T1554374006150000/401935 | types | ef:agent/link_flows_to_their_substance | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v18 | ef:flow/2bc9b6e1-8fe0-4883-8c68-04be52a6e448/v19 |