Methane Disulfonic Acid Disodium Salt
Everything that changed this flow. Back to the flow
18278f83-7deb-403f-bd16-3dd9f32f3844
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=methanedisulfonicaciddisodiumsalt||dimension=Environmental > media=Air > indoor=Unknown; cas=5799-70-2; added Common Chemistry CAS names as altLabel: Disodium methanedisulfonate, Methanedisulfonic acid, disodium salt, Methanedisulfonic acid, sodium salt (1:2); object_uuid=fo-360d11f3a0d970d6 |
| cas_match_labels | 1 | consensus_match | group_key=methanedisulfonicaciddisodiumsalt||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'5799-70-2': []}; assigned CAS labels from group consensus; object_uuid=fo-360d11f3a0d970d6: {'5799-70-2': '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 air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['5799-70-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[2735077, 16057804, 88359001, 89587214]; selected_pubchem_cids=[88359001]; 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 |
|---|---|---|---|---|---|
| 509 | bootstrap_labels | prefLabel | — | [{"@value":"methane disulfonic acid disodium salt","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 510 | bootstrap_labels | name | methane disulfonic acid disodium salt | — | Purged legacy name field to enforce prefLabel usage |
| 511 | bootstrap_labels | synonyms | ["organic","xp-282"] | [] | Removed legacy synonyms field in favor of structured labels |
| 52,504 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 52,505 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 213,509 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,212 | normalize_name_case | prefLabel | [{"@value":"methane disulfonic acid disodium salt","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | [{"@value":"Methane Disulfonic Acid Disodium Salt","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,657 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4Na2O6S2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,658 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,659 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=5799-70-2","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['5799-70-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[2735077, 16057804, 88359001, 89587214]; selected_pubchem_cids=[88359001]; 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 |
| 248,454 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4Na2O6S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4Na2O6S2… | rdkit_pre_consensus from 'C(S(=O)(=O)O)S(=O)(=O)O.[Na].[Na]'; added: molecular_mass, monoisotopic_mass |
| 268,662 | consensus_match | altLabel | [] | [{"@value":"Disodium methanedisulfonate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | group_key=methanedisulfonicaciddisodiumsalt||dimension=Environmental > media=Air > indoor=Unknown; cas=5799-70-2; added Common Chemistry CAS names as altLabel: Disodium methanedisulfonate, Methanedisulfonic acid, disodium salt, Methanedisulfonic acid, sodium salt (1:2); object_uuid=fo-360d11f3a0d970d6 |
| 268,663 | consensus_match | cas_match_labels | — | {"5799-70-2":"exactMatch"} | group_key=methanedisulfonicaciddisodiumsalt||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'5799-70-2': []}; assigned CAS labels from group consensus; object_uuid=fo-360d11f3a0d970d6: {'5799-70-2': 'exactMatch'} |
| 273,594 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4Na2O6S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4Na2O6S2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methane Disulfonic Acid Disodium Salt' |
| 279,955 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4Na2O6S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH2Na2O6S2… | rdkit_post_consensus from 'O=S(=O)([O-])CS(=O)(=O)[O-].[Na+].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,741 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH2Na2O6S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH2Na2O6S2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 307,300 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/18278f83-7deb-… | associations resolved on the elementary layer |
| 394,390 | 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/20260820T0738569779880000/509 | prefLabel | ef:agent/bootstrap_labels | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v0 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v1 |
| ef:activity/change/20260820T0738569779880000/510 | name | ef:agent/bootstrap_labels | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v1 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v2 |
| ef:activity/change/20260820T0738569779880000/511 | synonyms | ef:agent/bootstrap_labels | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v2 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v3 |
| ef:activity/change/20260820T0738569779880000/52504 | context | ef:agent/default_context_mapping | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v3 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v4 |
| ef:activity/change/20260820T0738569779880000/52505 | context_iri | ef:agent/default_context_mapping | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v4 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v5 |
| ef:activity/change/20260820T0738569779880000/213509 | unit_iri | ef:agent/unit_normalization | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v5 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v6 |
| ef:activity/change/20260820T0738569779880000/221212 | prefLabel | ef:agent/normalize_name_case | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v6 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v7 |
| ef:activity/change/20260820T0738569779880000/227657 | properties | ef:agent/enrich_references | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v7 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v8 |
| ef:activity/change/20260820T0738569779880000/227658 | skos_definition | ef:agent/enrich_references | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v8 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v9 |
| ef:activity/change/20260820T0738569779880000/227659 | references | ef:agent/enrich_references | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v9 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v10 |
| ef:activity/change/20260820T0738569779880000/248454 | properties | ef:agent/rdkit_pre_consensus | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v10 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v11 |
| ef:activity/change/20260820T0738569779880000/268662 | altLabel | ef:agent/consensus_match | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v11 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v12 |
| ef:activity/change/20260820T0738569779880000/268663 | cas_match_labels | ef:agent/consensus_match | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v12 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v13 |
| ef:activity/change/20260820T0738569779880000/273594 | properties | ef:agent/opsin_iupac | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v13 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v14 |
| ef:activity/change/20260820T0738569779880000/279955 | properties | ef:agent/rdkit_post_consensus | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v14 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v15 |
| ef:activity/change/20260820T0738569779880000/286741 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v15 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v16 |
| ef:activity/change/20260820T0738569779880000/307300 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v16 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v17 |
| ef:activity/change/20260820T0738569779880000/394390 | types | ef:agent/link_flows_to_their_substance | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v17 | ef:flow/18278f83-7deb-403f-bd16-3dd9f32f3844/v18 |