Disodium Oxybis(methylbenzenesulfonate)
Everything that changed this flow. Back to the flow
c4f94714-1ba9-4331-a375-519ff433fe7e
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=disodiumoxybis(methylbenzenesulfonate)||dimension=Environmental > media=Ground > geography=Agricultural; cas=73037-34-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, oxybis[methyl-, disodium salt, Benzenesulfonic acid, oxybis[methyl-, sodium salt (1:2); object_uuid=fo-5df9cce510117bdc |
| cas_match_labels | 1 | consensus_match | group_key=disodiumoxybis(methylbenzenesulfonate)||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'73037-34-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5df9cce510117bdc: {'73037-34-0': '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 water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['73037-34-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[175398, 53471251]; selected_pubchem_cids=[175398, 53471251]; 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 |
|---|---|---|---|---|---|
| 1,250 | bootstrap_labels | prefLabel | — | [{"@value":"disodium oxybis(methylbenzenesulfonate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 1,251 | bootstrap_labels | name | disodium oxybis(methylbenzenesulfonate) | — | Purged legacy name field to enforce prefLabel usage |
| 1,252 | bootstrap_labels | synonyms | ["organic","disodiumoxybis[methylbenzenesulphonate]"] | [] | Removed legacy synonyms field in favor of structured labels |
| 166,438 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 166,439 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 213,758 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,385 | normalize_name_case | prefLabel | [{"@value":"disodium oxybis(methylbenzenesulfonate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | [{"@value":"Disodium Oxybis(methylbenzenesulfonate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,384 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12Na2O… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 228,385 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,386 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.070.199","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['73037-34-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[175398, 53471251]; selected_pubchem_cids=[175398, 53471251]; 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 |
| 248,669 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12Na2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12Na2O… | rdkit_pre_consensus from 'CC1=C(C(=CC=C1)S(=O)(=O)[O-])OC2=C(C=CC=C2S(=O)(=O)[O-])C.[Na+].[Na+]'; added: molecular_mass, monoisotopic_mass |
| 266,455 | consensus_match | altLabel | [] | [{"@value":"Benzenesulfonic acid, oxybis[methyl-, disodium salt","@language":"en","source":{"prov:wasGeneratedBy":"cons… | group_key=disodiumoxybis(methylbenzenesulfonate)||dimension=Environmental > media=Ground > geography=Agricultural; cas=73037-34-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, oxybis[methyl-, disodium salt, Benzenesulfonic acid, oxybis[methyl-, sodium salt (1:2); object_uuid=fo-5df9cce510117bdc |
| 266,456 | consensus_match | cas_match_labels | — | {"73037-34-0":"exactMatch"} | group_key=disodiumoxybis(methylbenzenesulfonate)||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'73037-34-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5df9cce510117bdc: {'73037-34-0': 'exactMatch'} |
| 273,805 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12Na2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12Na2O… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Disodium Oxybis(methylbenzenesulfonate)' |
| 280,186 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12Na2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12Na2O… | rdkit_post_consensus from 'Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,758 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12Na2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12Na2O… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 364,265 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c4f94714-1ba9-… | associations resolved on the elementary layer |
| 394,684 | 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/20260820T1416470405690000/1250 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v0 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v1 |
| ef:activity/change/20260820T1416470405690000/1251 | name | ef:agent/bootstrap_labels | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v1 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v2 |
| ef:activity/change/20260820T1416470405690000/1252 | synonyms | ef:agent/bootstrap_labels | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v2 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v3 |
| ef:activity/change/20260820T1416470405690000/166438 | context | ef:agent/default_context_mapping | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v3 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v4 |
| ef:activity/change/20260820T1416470405690000/166439 | context_iri | ef:agent/default_context_mapping | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v4 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v5 |
| ef:activity/change/20260820T1416470405690000/213758 | unit_iri | ef:agent/unit_normalization | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v5 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v6 |
| ef:activity/change/20260820T1416470405690000/221385 | prefLabel | ef:agent/normalize_name_case | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v6 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v7 |
| ef:activity/change/20260820T1416470405690000/228384 | properties | ef:agent/enrich_references | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v7 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v8 |
| ef:activity/change/20260820T1416470405690000/228385 | skos_definition | ef:agent/enrich_references | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v8 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v9 |
| ef:activity/change/20260820T1416470405690000/228386 | references | ef:agent/enrich_references | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v9 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v10 |
| ef:activity/change/20260820T1416470405690000/248669 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v10 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v11 |
| ef:activity/change/20260820T1416470405690000/266455 | altLabel | ef:agent/consensus_match | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v11 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v12 |
| ef:activity/change/20260820T1416470405690000/266456 | cas_match_labels | ef:agent/consensus_match | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v12 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v13 |
| ef:activity/change/20260820T1416470405690000/273805 | properties | ef:agent/opsin_iupac | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v13 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v14 |
| ef:activity/change/20260820T1416470405690000/280186 | properties | ef:agent/rdkit_post_consensus | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v14 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v15 |
| ef:activity/change/20260820T1416470405690000/286758 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v15 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v16 |
| ef:activity/change/20260820T1416470405690000/364265 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v16 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v17 |
| ef:activity/change/20260820T1416470405690000/394684 | types | ef:agent/link_flows_to_their_substance | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v17 | ef:flow/c4f94714-1ba9-4331-a375-519ff433fe7e/v18 |