2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoic Acid
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-b0f8-0050c2490048
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'CP 18524' (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=2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'37087-94-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-98de0bcfc07f6c08: {'37087-94-8': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['37087-94-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[32335, 3015892]; selected_pubchem_cids=[32335]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 21,748 | bootstrap_labels | prefLabel | — | [{"@value":"2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":… | Bootstrapped prefLabel from legacy name field |
| 21,749 | bootstrap_labels | name | 2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 21,750 | bootstrap_labels | synonyms | ["2-Chloro-5-((cis-3,5-dimethylpiperidino)sulfonyl)benzoic acid","2-Chloro-5-(3,5-dimethylpiperidinosulfonyl)benzoic ac… | [] | Removed legacy synonyms field in favor of structured labels |
| 211,722 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 211,723 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 220,304 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,008 | normalize_name_case | prefLabel | [{"@value":"2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":… | [{"@value":"2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoic Acid","@language":"en","source":{"prov:wasGeneratedBy":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,007 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClNO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 247,008 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,009 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J16.711H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['37087-94-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[32335, 3015892]; selected_pubchem_cids=[32335]; 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 |
| 254,036 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClNO… | rdkit_pre_consensus from 'CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 260,654 | consensus_match | altLabel | [] | [{"@value":"<em>rel</em>-2-Chloro-5-[[(3<em>R</em>,5<em>S</em>)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid","@lan… | group_key=2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=37087-94-8; added Common Chemistry CAS names as altLabel: <em>rel</em>-2-Chloro-5-[[(3<em>R</em>,5<em>S</em>)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid, Benzoic acid, 2-chloro-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-, <em>cis</em>-, Benzoic acid, 2-chloro-5-[[(3<em>R</em>,5<em>S</em>)-3,5-dimethyl-1-piperidinyl]sulfonyl]-, <em>rel</em>-, CP 18524, Tibric acid; object_uuid=fo-98de0bcfc07f6c08 |
| 260,655 | consensus_match | cas_match_labels | — | {"37087-94-8":"exactMatch"} | group_key=2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'37087-94-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-98de0bcfc07f6c08: {'37087-94-8': 'exactMatch'} |
| 279,236 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClNO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'rel-2-Chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid' |
| 286,096 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClNO… | rdkit_post_consensus from 'C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,514 | strip_catalogue_altlabels | altLabel | [{"@value":"<em>rel</em>-2-Chloro-5-[[(3<em>R</em>,5<em>S</em>)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid","@lan… | [{"@value":"rel-2-Chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid","@language":"en","source":{"prov… | Removed 1 catalogue altLabel value(s): 'CP 18524' (grade code) |
| 386,901 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 393,624 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClNO… | typed the way the ontology types it |
| 402,717 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 402,718 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClNO… | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1122181958110000/21748 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v1 |
| ef:activity/change/20260821T1122181958110000/21749 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v2 |
| ef:activity/change/20260821T1122181958110000/21750 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v3 |
| ef:activity/change/20260821T1122181958110000/211722 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v4 |
| ef:activity/change/20260821T1122181958110000/211723 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v5 |
| ef:activity/change/20260821T1122181958110000/220304 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v6 |
| ef:activity/change/20260821T1122181958110000/226008 | prefLabel | ef:agent/normalize_name_case | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v7 |
| ef:activity/change/20260821T1122181958110000/247007 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v8 |
| ef:activity/change/20260821T1122181958110000/247008 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v9 |
| ef:activity/change/20260821T1122181958110000/247009 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v10 |
| ef:activity/change/20260821T1122181958110000/254036 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v11 |
| ef:activity/change/20260821T1122181958110000/260654 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v12 |
| ef:activity/change/20260821T1122181958110000/260655 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v13 |
| ef:activity/change/20260821T1122181958110000/279236 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v14 |
| ef:activity/change/20260821T1122181958110000/286096 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v15 |
| ef:activity/change/20260821T1122181958110000/291514 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v16 |
| ef:activity/change/20260821T1122181958110000/386901 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v17 |
| ef:activity/change/20260821T1122181958110000/393624 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v18 |
| ef:activity/change/20260821T1122181958110000/402717 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v19 |
| ef:activity/change/20260821T1122181958110000/402718 | properties | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v19 | ef:flow/fe0acd60-3ddc-11dd-b0f8-0050c2490048/v20 |