2-(2-carboxyphenyl)disulfanylbenzoic Acid
Everything that changed this flow. Back to the flow
6f586143-9540-4d7e-87fd-e5e6ef497f9e
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 4 catalogue altLabel value(s): 'NSC 213' (registry code), 'NSC 405662' (registry code), 'NSC 5346' (registry code), 'NSC 633230' (registry 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=2-(2-carboxyphenyl)disulfanylbenzoicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'119-80-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f55727f12f2bcf86: {'119-80-2': '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 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=['119-80-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[8409, 68243]; selected_pubchem_cids=[8409]; 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 |
|---|---|---|---|---|---|
| 4,485 | bootstrap_labels | prefLabel | — | [{"@value":"2-(2-carboxyphenyl)disulfanylbenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Bootstrapped prefLabel from legacy name field |
| 4,486 | bootstrap_labels | name | 2-(2-carboxyphenyl)disulfanylbenzoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 4,487 | bootstrap_labels | synonyms | ["organic","2,2'","-dithiodi(benzoicacid)"] | [] | Removed legacy synonyms field in favor of structured labels |
| 116,100 | 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) |
| 116,101 | 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) |
| 214,837 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,121 | normalize_name_case | prefLabel | [{"@value":"2-(2-carboxyphenyl)disulfanylbenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | [{"@value":"2-(2-carboxyphenyl)disulfanylbenzoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,492 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H10O4S2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,493 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,494 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J31.929E","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['119-80-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[8409, 68243]; selected_pubchem_cids=[8409]; 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 |
| 249,555 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H10O4S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H10O4S2… | rdkit_pre_consensus from 'C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O'; added: molecular_mass, monoisotopic_mass |
| 260,232 | consensus_match | altLabel | [] | [{"@value":"2,2′-Dithiobis[benzoic acid]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | group_key=2-(2-carboxyphenyl)disulfanylbenzoicacid||dimension=Environmental > media=Ground > geography=Unknown; cas=119-80-2; added Common Chemistry CAS names as altLabel: 2,2′-Dithiobis[benzoic acid], 2,2′-Dithiodibenzoic acid, 2,2′-Dithiosalicyclic acid, 2-[(2-Carboxyphenyl)disulfanyl]benzoic acid, Benzoic acid, 2,2′-dithiobis-, Benzoic acid, 2,2′-dithiodi-, Benzoic acid, <em>o</em>,<em>o</em>′-dithiobis-, Bis(2-carboxyphenyl) disulfide, Bis(<em>o</em>-carboxylphenyl) disulfide, Diphenyl disulfide-2,2′-dicarboxylic acid, Dithiosalicylic acid, NSC 213, NSC 405662, NSC 5346, NSC 633230; object_uuid=fo-f55727f12f2bcf86 |
| 260,233 | consensus_match | cas_match_labels | — | {"119-80-2":"exactMatch"} | group_key=2-(2-carboxyphenyl)disulfanylbenzoicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'119-80-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f55727f12f2bcf86: {'119-80-2': 'exactMatch'} |
| 274,687 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H10O4S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H10O4S2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-(2-carboxyphenyl)disulfanylbenzoic Acid' |
| 281,147 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H10O4S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H10O4S2… | rdkit_post_consensus from 'O=C(O)c1ccccc1SSc1ccccc1C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,165 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2′-Dithiobis[benzoic acid]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | [{"@value":"2,2′-Dithiobis[benzoic acid]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | Removed 4 catalogue altLabel value(s): 'NSC 213' (registry code), 'NSC 405662' (registry code), 'NSC 5346' (registry code), 'NSC 633230' (registry code) |
| 339,047 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6f586143-9540-… | associations resolved on the elementary layer |
| 388,995 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H10O4S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H10O4S2… | typed the way the ontology types it |
| 395,960 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1122181958110000/4485 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v0 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v1 |
| ef:activity/change/20260821T1122181958110000/4486 | name | ef:agent/bootstrap_labels | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v1 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v2 |
| ef:activity/change/20260821T1122181958110000/4487 | synonyms | ef:agent/bootstrap_labels | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v2 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v3 |
| ef:activity/change/20260821T1122181958110000/116100 | context | ef:agent/default_context_mapping | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v3 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v4 |
| ef:activity/change/20260821T1122181958110000/116101 | context_iri | ef:agent/default_context_mapping | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v4 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v5 |
| ef:activity/change/20260821T1122181958110000/214837 | unit_iri | ef:agent/unit_normalization | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v5 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v6 |
| ef:activity/change/20260821T1122181958110000/222121 | prefLabel | ef:agent/normalize_name_case | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v6 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v7 |
| ef:activity/change/20260821T1122181958110000/231492 | properties | ef:agent/enrich_references | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v7 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v8 |
| ef:activity/change/20260821T1122181958110000/231493 | skos_definition | ef:agent/enrich_references | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v8 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v9 |
| ef:activity/change/20260821T1122181958110000/231494 | references | ef:agent/enrich_references | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v9 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v10 |
| ef:activity/change/20260821T1122181958110000/249555 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v10 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v11 |
| ef:activity/change/20260821T1122181958110000/260232 | altLabel | ef:agent/consensus_match | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v11 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v12 |
| ef:activity/change/20260821T1122181958110000/260233 | cas_match_labels | ef:agent/consensus_match | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v12 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v13 |
| ef:activity/change/20260821T1122181958110000/274687 | properties | ef:agent/opsin_iupac | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v13 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v14 |
| ef:activity/change/20260821T1122181958110000/281147 | properties | ef:agent/rdkit_post_consensus | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v14 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v15 |
| ef:activity/change/20260821T1122181958110000/288165 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v15 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v16 |
| ef:activity/change/20260821T1122181958110000/339047 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v16 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v17 |
| ef:activity/change/20260821T1122181958110000/388995 | properties | ef:agent/normalise_property_values | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v17 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v18 |
| ef:activity/change/20260821T1122181958110000/395960 | types | ef:agent/link_flows_to_their_substance | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v18 | ef:flow/6f586143-9540-4d7e-87fd-e5e6ef497f9e/v19 |