Sodium Octane-1-sulphonate Monohydrate
Everything that changed this flow. Back to the flow
175f717c-d98a-4d19-a9b1-13585bf35a68
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=sodiumoctane-1-sulphonatemonohydrate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5324-84-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e43f7b5c2ce3a2a3: {'5324-84-5': '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 air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['5324-84-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[49939, 18541926, 23666339, 23669624, 45052255]; selected_pubchem_cids=[45052255]; 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 |
|---|---|---|---|---|---|
| 245 | bootstrap_labels | prefLabel | — | [{"@value":"sodium octane-1-sulphonate monohydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Bootstrapped prefLabel from legacy name field |
| 246 | bootstrap_labels | name | sodium octane-1-sulphonate monohydrate | — | Purged legacy name field to enforce prefLabel usage |
| 15,613 | bootstrap_labels | synonyms | ["sodiumoctane-1-sulphonatemonohydrate","1-octanesulfonicacid,sodiumsalt","1-octanesulfonicacid,sodiumsalt(1:1)","octan… | [] | Removed legacy synonyms field in favor of structured labels |
| 52,078 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 52,079 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 213,420 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,146 | normalize_name_case | prefLabel | [{"@value":"sodium octane-1-sulphonate monohydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | [{"@value":"Sodium Octane-1-sulphonate Monohydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,403 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,404 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,405 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.023.815","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['5324-84-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[49939, 18541926, 23666339, 23669624, 45052255]; selected_pubchem_cids=[45052255]; 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 |
| 248,380 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3S… | rdkit_pre_consensus from 'CCCCCCCCS(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 272,011 | consensus_match | altLabel | [] | [{"@value":"1-Octanesulfonic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | group_key=sodiumoctane-1-sulphonatemonohydrate||dimension=Environmental > media=Water > water_body=Surface water; cas=5324-84-5; added Common Chemistry CAS names as altLabel: 1-Octanesulfonic acid, sodium salt, 1-Octanesulfonic acid, sodium salt (1:1), Bio-Terge PAS 8, Bio-Terge PAS 8SF, NAS 8RF, NAS-FAL, Sodium 1-octanesulfonate, Sodium <em>n</em>-octanesulfonate, Sodium <em>n</em>-octylsulfonate, Sodium caprylyl sulfonate, Sodium octanesulfonate, Sodium octylsulfonate, Witconate NAS-FAL; object_uuid=fo-e43f7b5c2ce3a2a3 |
| 272,012 | consensus_match | cas_match_labels | — | {"5324-84-5":"exactMatch"} | group_key=sodiumoctane-1-sulphonatemonohydrate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5324-84-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e43f7b5c2ce3a2a3: {'5324-84-5': 'exactMatch'} |
| 273,521 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-Octanesulfonic acid, sodium salt' |
| 279,876 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NaO3S… | rdkit_post_consensus from 'CCCCCCCCS(=O)(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,731 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NaO3S… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 291,977 | dedupe_altlabels | altLabel | [{"@value":"1-Octanesulfonic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | [{"@value":"1-Octanesulfonic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | Deduplicated altLabel values and removed entries matching prefLabel |
| 307,086 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/175f717c-d98a-… | associations resolved on the elementary layer |
| 394,280 | 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/20260820T0738569779880000/245 | prefLabel | ef:agent/bootstrap_labels | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v0 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v1 |
| ef:activity/change/20260820T0738569779880000/246 | name | ef:agent/bootstrap_labels | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v1 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v2 |
| ef:activity/change/20260820T0738569779880000/15613 | synonyms | ef:agent/bootstrap_labels | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v2 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v3 |
| ef:activity/change/20260820T0738569779880000/52078 | context | ef:agent/default_context_mapping | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v3 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v4 |
| ef:activity/change/20260820T0738569779880000/52079 | context_iri | ef:agent/default_context_mapping | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v4 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v5 |
| ef:activity/change/20260820T0738569779880000/213420 | unit_iri | ef:agent/unit_normalization | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v5 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v6 |
| ef:activity/change/20260820T0738569779880000/221146 | prefLabel | ef:agent/normalize_name_case | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v6 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v7 |
| ef:activity/change/20260820T0738569779880000/227403 | properties | ef:agent/enrich_references | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v7 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v8 |
| ef:activity/change/20260820T0738569779880000/227404 | skos_definition | ef:agent/enrich_references | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v8 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v9 |
| ef:activity/change/20260820T0738569779880000/227405 | references | ef:agent/enrich_references | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v9 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v10 |
| ef:activity/change/20260820T0738569779880000/248380 | properties | ef:agent/rdkit_pre_consensus | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v10 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v11 |
| ef:activity/change/20260820T0738569779880000/272011 | altLabel | ef:agent/consensus_match | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v11 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v12 |
| ef:activity/change/20260820T0738569779880000/272012 | cas_match_labels | ef:agent/consensus_match | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v12 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v13 |
| ef:activity/change/20260820T0738569779880000/273521 | properties | ef:agent/opsin_iupac | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v13 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v14 |
| ef:activity/change/20260820T0738569779880000/279876 | properties | ef:agent/rdkit_post_consensus | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v14 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v15 |
| ef:activity/change/20260820T0738569779880000/286731 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v15 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v16 |
| ef:activity/change/20260820T0738569779880000/291977 | altLabel | ef:agent/dedupe_altlabels | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v16 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v17 |
| ef:activity/change/20260820T0738569779880000/307086 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v17 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v18 |
| ef:activity/change/20260820T0738569779880000/394280 | types | ef:agent/link_flows_to_their_substance | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v18 | ef:flow/175f717c-d98a-4d19-a9b1-13585bf35a68/v19 |