Sulfuric Acid, C9 Alkyl Esters, Sodium Salts
Everything that changed this flow. Back to the flow
3022bacf-0477-4bc8-b0f4-63dfa784bfbb
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=sulfuricacid,c9alkylesters,sodiumsalts||dimension=Environmental > media=Ground > geography=Agricultural; cas=1072-15-7; added Common Chemistry CAS names as altLabel: Nonyl sodium sulfate, Sodium nonyl sulfate, Sulfuric acid, monononyl ester, sodium salt, Sulfuric acid, monononyl ester, sodium salt (1:1); object_uuid=fo-0945497a6589d77e |
| cas_match_labels | 1 | consensus_match | group_key=sulfuricacid,c9alkylesters,sodiumsalts||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1072-15-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-0945497a6589d77e: {'1072-15-7': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1072-15-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[235457, 23677967, 131865474]; selected_pubchem_cids=[131865474]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,072 | bootstrap_labels | prefLabel | — | [{"@value":"sulfuric acid, c9 alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 1,073 | bootstrap_labels | name | sulfuric acid, c9 alkyl esters, sodium salts | — | Purged legacy name field to enforce prefLabel usage |
| 1,074 | bootstrap_labels | synonyms | ["organic","sodiumnonylsulphate","syntaponns-p"] | [] | Removed legacy synonyms field in favor of structured labels |
| 68,616 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 68,617 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 213,698 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,348 | normalize_name_case | prefLabel | [{"@value":"sulfuric acid, c9 alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | [{"@value":"Sulfuric Acid, C9 Alkyl Esters, Sodium Salts","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,209 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20NaO4S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,210 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,211 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=1072-15-7","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['1072-15-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[235457, 23677967, 131865474]; selected_pubchem_cids=[131865474]; 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 |
| 248,615 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20NaO4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20NaO4S… | rdkit_pre_consensus from 'CCCCCCCCCOS(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 272,213 | consensus_match | altLabel | [] | [{"@value":"Nonyl sodium sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | group_key=sulfuricacid,c9alkylesters,sodiumsalts||dimension=Environmental > media=Ground > geography=Agricultural; cas=1072-15-7; added Common Chemistry CAS names as altLabel: Nonyl sodium sulfate, Sodium nonyl sulfate, Sulfuric acid, monononyl ester, sodium salt, Sulfuric acid, monononyl ester, sodium salt (1:1); object_uuid=fo-0945497a6589d77e |
| 272,214 | consensus_match | cas_match_labels | — | {"1072-15-7":"exactMatch"} | group_key=sulfuricacid,c9alkylesters,sodiumsalts||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1072-15-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-0945497a6589d77e: {'1072-15-7': 'exactMatch'} |
| 273,755 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20NaO4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20NaO4S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium nonyl sulfate' |
| 280,131 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20NaO4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NaO4S… | rdkit_post_consensus from 'CCCCCCCCCOS(=O)(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,756 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NaO4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NaO4S… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 315,345 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3022bacf-0477-… | associations resolved on the elementary layer |
| 394,612 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260820T0738569779880000/1072 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v0 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v1 |
| ef:activity/change/20260820T0738569779880000/1073 | name | ef:agent/bootstrap_labels | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v1 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v2 |
| ef:activity/change/20260820T0738569779880000/1074 | synonyms | ef:agent/bootstrap_labels | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v2 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v3 |
| ef:activity/change/20260820T0738569779880000/68616 | context | ef:agent/default_context_mapping | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v3 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v4 |
| ef:activity/change/20260820T0738569779880000/68617 | context_iri | ef:agent/default_context_mapping | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v4 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v5 |
| ef:activity/change/20260820T0738569779880000/213698 | unit_iri | ef:agent/unit_normalization | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v5 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v6 |
| ef:activity/change/20260820T0738569779880000/221348 | prefLabel | ef:agent/normalize_name_case | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v6 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v7 |
| ef:activity/change/20260820T0738569779880000/228209 | properties | ef:agent/enrich_references | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v7 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v8 |
| ef:activity/change/20260820T0738569779880000/228210 | skos_definition | ef:agent/enrich_references | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v8 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v9 |
| ef:activity/change/20260820T0738569779880000/228211 | references | ef:agent/enrich_references | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v9 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v10 |
| ef:activity/change/20260820T0738569779880000/248615 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v10 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v11 |
| ef:activity/change/20260820T0738569779880000/272213 | altLabel | ef:agent/consensus_match | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v11 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v12 |
| ef:activity/change/20260820T0738569779880000/272214 | cas_match_labels | ef:agent/consensus_match | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v12 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v13 |
| ef:activity/change/20260820T0738569779880000/273755 | properties | ef:agent/opsin_iupac | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v13 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v14 |
| ef:activity/change/20260820T0738569779880000/280131 | properties | ef:agent/rdkit_post_consensus | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v14 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v15 |
| ef:activity/change/20260820T0738569779880000/286756 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v15 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v16 |
| ef:activity/change/20260820T0738569779880000/315345 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v16 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v17 |
| ef:activity/change/20260820T0738569779880000/394612 | types | ef:agent/link_flows_to_their_substance | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v17 | ef:flow/3022bacf-0477-4bc8-b0f4-63dfa784bfbb/v18 |