Sodium 2-hydroxyethanesulfonate
Everything that changed this flow. Back to the flow
a9fc2bbf-524b-493e-ac2d-92adf295a5f2
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): 'MW 148' (grade 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=sodium2-hydroxyethanesulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1562-00-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a470fa6bf0fe953c: {'1562-00-1': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1562-00-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[517063, 21217608, 24191595, 122130821]; selected_pubchem_cids=[24191595]; 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 |
|---|---|---|---|---|---|
| 3,137 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 2-hydroxyethanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 3,138 | bootstrap_labels | name | sodium 2-hydroxyethanesulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 3,139 | bootstrap_labels | synonyms | ["organic","sodium2-hydroxyethanesulphonate","natriumisethionatfest","natriumisethionatflã¼ssig"] | [] | Removed legacy synonyms field in favor of structured labels |
| 150,888 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 150,889 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 214,386 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,807 | normalize_name_case | prefLabel | [{"@value":"sodium 2-hydroxyethanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"Sodium 2-hydroxyethanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,195 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6NaO4S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,196 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,197 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=1562-00-1","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['1562-00-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[517063, 21217608, 24191595, 122130821]; selected_pubchem_cids=[24191595]; 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 |
| 249,190 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6NaO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6NaO4S"… | rdkit_pre_consensus from 'C(CS(=O)(=O)O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,731 | consensus_match | altLabel | [] | [{"@value":"2-Hydroxyethanesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=sodium2-hydroxyethanesulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1562-00-1; added Common Chemistry CAS names as altLabel: 2-Hydroxyethanesulfonic acid sodium salt, Adeka Tec HES, Ethanesulfonic acid, 2-hydroxy-, monosodium salt, Ethanesulfonic acid, 2-hydroxy-, sodium salt, Ethanesulfonic acid, 2-hydroxy-, sodium salt (1:1), Hostapon SI, Isethionic acid sodium, Isethionic acid sodium salt, MW 148, Sodium 1-hydroxy-2-ethanesulfonate, Sodium 2-hydroxy-1-ethanesulfonate, Sodium 2-hydroxyethylsulfonate, Sodium hydroxyethanesulfonate, Sodium hydroxyethylsulfonate, Sodium isethionate, Sodium β-hydroxyethanesulfonate; object_uuid=fo-a470fa6bf0fe953c |
| 271,732 | consensus_match | cas_match_labels | — | {"1562-00-1":"exactMatch"} | group_key=sodium2-hydroxyethanesulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1562-00-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a470fa6bf0fe953c: {'1562-00-1': 'exactMatch'} |
| 274,304 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6NaO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6NaO4S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 2-hydroxyethanesulfonate' |
| 280,736 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6NaO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H5NaO4S"… | rdkit_post_consensus from 'O=S(=O)([O-])CCO.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,780 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H5NaO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H5NaO4S"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 287,874 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Hydroxyethanesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"2-Hydroxyethanesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Removed 1 catalogue altLabel value(s): 'MW 148' (grade code) |
| 356,466 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a9fc2bbf-524b-… | associations resolved on the elementary layer |
| 395,408 | 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/20260821T1302361922970000/3137 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v0 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v1 |
| ef:activity/change/20260821T1302361922970000/3138 | name | ef:agent/bootstrap_labels | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v1 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v2 |
| ef:activity/change/20260821T1302361922970000/3139 | synonyms | ef:agent/bootstrap_labels | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v2 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v3 |
| ef:activity/change/20260821T1302361922970000/150888 | context | ef:agent/default_context_mapping | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v3 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v4 |
| ef:activity/change/20260821T1302361922970000/150889 | context_iri | ef:agent/default_context_mapping | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v4 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v5 |
| ef:activity/change/20260821T1302361922970000/214386 | unit_iri | ef:agent/unit_normalization | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v5 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v6 |
| ef:activity/change/20260821T1302361922970000/221807 | prefLabel | ef:agent/normalize_name_case | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v6 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v7 |
| ef:activity/change/20260821T1302361922970000/230195 | properties | ef:agent/enrich_references | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v7 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v8 |
| ef:activity/change/20260821T1302361922970000/230196 | skos_definition | ef:agent/enrich_references | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v8 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v9 |
| ef:activity/change/20260821T1302361922970000/230197 | references | ef:agent/enrich_references | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v9 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v10 |
| ef:activity/change/20260821T1302361922970000/249190 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v10 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v11 |
| ef:activity/change/20260821T1302361922970000/271731 | altLabel | ef:agent/consensus_match | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v11 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v12 |
| ef:activity/change/20260821T1302361922970000/271732 | cas_match_labels | ef:agent/consensus_match | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v12 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v13 |
| ef:activity/change/20260821T1302361922970000/274304 | properties | ef:agent/opsin_iupac | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v13 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v14 |
| ef:activity/change/20260821T1302361922970000/280736 | properties | ef:agent/rdkit_post_consensus | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v14 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v15 |
| ef:activity/change/20260821T1302361922970000/286780 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v15 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v16 |
| ef:activity/change/20260821T1302361922970000/287874 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v16 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v17 |
| ef:activity/change/20260821T1302361922970000/356466 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v17 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v18 |
| ef:activity/change/20260821T1302361922970000/395408 | types | ef:agent/link_flows_to_their_substance | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v18 | ef:flow/a9fc2bbf-524b-493e-ac2d-92adf295a5f2/v19 |