Sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate
Everything that changed this flow. Back to the flow
5c52a8bb-19f2-45d7-9539-1bbf5387a4e5
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'DNS 268' (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=sodium1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'29857-13-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-59b76c9158cec543: {'29857-13-4': '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=['29857-13-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[246253, 23688938]; selected_pubchem_cids=[23688938]; 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 |
|---|---|---|---|---|---|
| 51 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate","@language":"en","source":{"prov:wasGenerat… | Bootstrapped prefLabel from legacy name field |
| 52 | bootstrap_labels | name | sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 53 | bootstrap_labels | synonyms | ["organic","sodium1,4-diisodecylsulphonatosuccinate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 104,604 | 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 |
| 104,605 | 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 |
| 213,355 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,112 | normalize_name_case | prefLabel | [{"@value":"sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate","@language":"en","source":{"prov:wasGenerat… | [{"@value":"Sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate","@language":"en","source":{"prov:wasGenerat… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,214 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H45NaO7… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,215 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,216 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J286.973J","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['29857-13-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[246253, 23688938]; selected_pubchem_cids=[23688938]; 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 |
| 248,321 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H45NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H45NaO7… | rdkit_pre_consensus from 'CC(C)CCCCCCCOC(=O)CC(C(=O)OCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+]'; added: molecular_mass, monoisotopic_mass |
| 271,689 | consensus_match | altLabel | [] | [{"@value":"Butanedioic acid, 2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1)","@language":"en","source":{"prov:wasGe… | group_key=sodium1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=29857-13-4; added Common Chemistry CAS names as altLabel: Butanedioic acid, 2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1), Butanedioic acid, sulfo-, 1,4-diisodecyl ester, sodium salt, DNS 268, Diisodecyl sulfosuccinate sodium salt, Disponil SUS-IC 10, Hydropalat WE 3488, Sodium diisodecyl sulfosuccinate, Succinic acid, sulfo-, 1,4-diisodecyl ester, sodium salt; object_uuid=fo-59b76c9158cec543 |
| 271,690 | consensus_match | cas_match_labels | — | {"29857-13-4":"exactMatch"} | group_key=sodium1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'29857-13-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-59b76c9158cec543: {'29857-13-4': 'exactMatch'} |
| 273,465 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H45NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H45NaO7… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate' |
| 279,815 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H45NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H45NaO7… | rdkit_post_consensus from 'CC(C)CCCCCCCOC(=O)CC(C(=O)OCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,279 | strip_catalogue_altlabels | altLabel | [{"@value":"Butanedioic acid, 2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1)","@language":"en","source":{"prov:wasGe… | [{"@value":"Butanedioic acid, 2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1)","@language":"en","source":{"prov:wasGe… | Removed 1 catalogue altLabel value(s): 'DNS 268' (grade code) |
| 333,319 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5c52a8bb-19f2-… | associations resolved on the elementary layer |
| 387,745 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H45NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H45NaO7… | typed the way the ontology types it |
| 394,203 | 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/20260820T1416470405690000/51 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v0 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v1 |
| ef:activity/change/20260820T1416470405690000/52 | name | ef:agent/bootstrap_labels | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v1 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v2 |
| ef:activity/change/20260820T1416470405690000/53 | synonyms | ef:agent/bootstrap_labels | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v2 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v3 |
| ef:activity/change/20260820T1416470405690000/104604 | context | ef:agent/default_context_mapping | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v3 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v4 |
| ef:activity/change/20260820T1416470405690000/104605 | context_iri | ef:agent/default_context_mapping | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v4 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v5 |
| ef:activity/change/20260820T1416470405690000/213355 | unit_iri | ef:agent/unit_normalization | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v5 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v6 |
| ef:activity/change/20260820T1416470405690000/221112 | prefLabel | ef:agent/normalize_name_case | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v6 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v7 |
| ef:activity/change/20260820T1416470405690000/227214 | properties | ef:agent/enrich_references | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v7 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v8 |
| ef:activity/change/20260820T1416470405690000/227215 | skos_definition | ef:agent/enrich_references | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v8 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v9 |
| ef:activity/change/20260820T1416470405690000/227216 | references | ef:agent/enrich_references | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v9 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v10 |
| ef:activity/change/20260820T1416470405690000/248321 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v10 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v11 |
| ef:activity/change/20260820T1416470405690000/271689 | altLabel | ef:agent/consensus_match | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v11 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v12 |
| ef:activity/change/20260820T1416470405690000/271690 | cas_match_labels | ef:agent/consensus_match | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v12 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v13 |
| ef:activity/change/20260820T1416470405690000/273465 | properties | ef:agent/opsin_iupac | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v13 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v14 |
| ef:activity/change/20260820T1416470405690000/279815 | properties | ef:agent/rdkit_post_consensus | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v14 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v15 |
| ef:activity/change/20260820T1416470405690000/287279 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v15 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v16 |
| ef:activity/change/20260820T1416470405690000/333319 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v16 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v17 |
| ef:activity/change/20260820T1416470405690000/387745 | properties | ef:agent/normalise_property_values | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v17 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v18 |
| ef:activity/change/20260820T1416470405690000/394203 | types | ef:agent/link_flows_to_their_substance | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v18 | ef:flow/5c52a8bb-19f2-45d7-9539-1bbf5387a4e5/v19 |