Sodium Hydroxymethanesulfinate
Everything that changed this flow. Back to the flow
0f126d3c-13a8-4508-8169-73476215963c
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 2 catalogue altLabel value(s): 'NSC 4847' (registry code), 'NSC 78331' (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=sodiumhydroxymethanesulfinate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'149-44-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85b983fac282f809: {'149-44-0': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['149-44-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[14048785, 21225536, 22323430, 23666330, 23689980, 23712042, 23725019, 24181102, 73995029]; selected_pubchem_cids=[24181102]; 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 |
|---|---|---|---|---|---|
| 12,357 | bootstrap_labels | prefLabel | — | [{"@value":"sodium hydroxymethanesulfinate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Bootstrapped prefLabel from legacy name field |
| 12,358 | bootstrap_labels | name | sodium hydroxymethanesulfinate | — | Purged legacy name field to enforce prefLabel usage |
| 12,359 | bootstrap_labels | synonyms | ["organic","sodiumhydroxymethanesulphinate","aldanil","blankitc","bleachit","bruggoliteâ®e","brã?ggolitâ®e","formaldehy… | [] | Removed legacy synonyms field in favor of structured labels |
| 46,275 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 46,276 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 217,431 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,961 | normalize_name_case | prefLabel | [{"@value":"sodium hydroxymethanesulfinate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | [{"@value":"Sodium Hydroxymethanesulfinate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,920 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4NaO3S"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,921 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,922 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.005.219","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['149-44-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[14048785, 21225536, 22323430, 23666330, 23689980, 23712042, 23725019, 24181102, 73995029]; selected_pubchem_cids=[24181102]; 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 |
| 251,695 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4NaO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4NaO3S"]… | rdkit_pre_consensus from 'C(O)S(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,953 | consensus_match | altLabel | [] | [{"@value":"Aldanil","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"brightw… | group_key=sodiumhydroxymethanesulfinate||dimension=Environmental > media=Water > water_body=Surface water; cas=149-44-0; added Common Chemistry CAS names as altLabel: Aldanil, Bleachit D, Bruggolit E 01, Bruggolite C, Bruggolite E 01, Bruggolite SFS, C.I. Reducing Agent 2, Cosmolit, Formaldehyde sodium sulfoxylate, Formaldehyde-sodium hydrogen sulfite, Formaldehydesulfoxylic acid sodium salt, Formapon, Formopan, Hydrolit, Hydroxymethanesulfinic acid sodium salt, Langqielie C, Leptacid, Leptacit, Methanesulfinic acid, 1-hydroxy-, sodium salt (1:1), Methanesulfinic acid, hydroxy-, monosodium salt, NSC 4847, NSC 78331, Redol C, Rodite, Rongalit, Rongalit C, Rongalite, Rongalite C, Rongalite SFS, Rongolite C, SFS, ST, ST (Rongalite), Sodium (hydroxymethyl)sulfinate, Sodium formaldehydesulfoxylate, Sodium methanalsulfoxylate, Sodium sulfoxylate formaldehyde, Superlite C; object_uuid=fo-85b983fac282f809 |
| 271,954 | consensus_match | cas_match_labels | — | {"149-44-0":"exactMatch"} | group_key=sodiumhydroxymethanesulfinate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'149-44-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85b983fac282f809: {'149-44-0': 'exactMatch'} |
| 276,882 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4NaO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4NaO3S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium Hydroxymethanesulfinate' |
| 283,528 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4NaO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH3NaO3S",… | rdkit_post_consensus from 'O=S([O-])CO.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,007 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH3NaO3S",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH3NaO3S",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,815 | strip_catalogue_altlabels | altLabel | [{"@value":"Aldanil","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"brightw… | [{"@value":"Aldanil","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"brightw… | Removed 2 catalogue altLabel value(s): 'NSC 4847' (registry code), 'NSC 78331' (registry code) |
| 304,205 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0f126d3c-13a8-… | associations resolved on the elementary layer |
| 399,204 | 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/20261019T0712047113160000/12357 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v0 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v1 |
| ef:activity/change/20261019T0712047113160000/12358 | name | ef:agent/bootstrap_labels | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v1 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v2 |
| ef:activity/change/20261019T0712047113160000/12359 | synonyms | ef:agent/bootstrap_labels | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v2 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v3 |
| ef:activity/change/20261019T0712047113160000/46275 | context | ef:agent/default_context_mapping | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v3 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v4 |
| ef:activity/change/20261019T0712047113160000/46276 | context_iri | ef:agent/default_context_mapping | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v4 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v5 |
| ef:activity/change/20261019T0712047113160000/217431 | unit_iri | ef:agent/unit_normalization | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v5 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v6 |
| ef:activity/change/20261019T0712047113160000/223961 | prefLabel | ef:agent/normalize_name_case | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v6 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v7 |
| ef:activity/change/20261019T0712047113160000/238920 | properties | ef:agent/enrich_references | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v7 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v8 |
| ef:activity/change/20261019T0712047113160000/238921 | skos_definition | ef:agent/enrich_references | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v8 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v9 |
| ef:activity/change/20261019T0712047113160000/238922 | references | ef:agent/enrich_references | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v9 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v10 |
| ef:activity/change/20261019T0712047113160000/251695 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v10 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v11 |
| ef:activity/change/20261019T0712047113160000/271953 | altLabel | ef:agent/consensus_match | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v11 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v12 |
| ef:activity/change/20261019T0712047113160000/271954 | cas_match_labels | ef:agent/consensus_match | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v12 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v13 |
| ef:activity/change/20261019T0712047113160000/276882 | properties | ef:agent/opsin_iupac | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v13 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v14 |
| ef:activity/change/20261019T0712047113160000/283528 | properties | ef:agent/rdkit_post_consensus | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v14 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v15 |
| ef:activity/change/20261019T0712047113160000/287007 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v15 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v16 |
| ef:activity/change/20261019T0712047113160000/289815 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v16 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v17 |
| ef:activity/change/20261019T0712047113160000/304205 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v17 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v18 |
| ef:activity/change/20261019T0712047113160000/399204 | types | ef:agent/link_flows_to_their_substance | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v18 | ef:flow/0f126d3c-13a8-4508-8169-73476215963c/v19 |