1,1-dimethylethyl 4(or 5)-chloro-2-methylcyclohexanecarboxylate
Everything that changed this flow. Back to the flow
05b1a77c-ee41-4710-b3b2-a63e61e43e1e
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, 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 |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=1,1-dimethylethyl4(or5)-chloro-2-methylcyclohexanecarboxylate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory']; cas_sources={'12002-53-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-37c86b2df10a2297: {'12002-53-8': '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 water, unspecified |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['12002-53-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[546164, 20056442]; selected_pubchem_cids=[546164, 20056442]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 4,551 | bootstrap_labels | prefLabel | — | [{"@value":"1,1-dimethylethyl 4(or 5)-chloro-2-methylcyclohexanecarboxylate","@language":"en","source":{"prov:wasGenera… | Bootstrapped prefLabel from legacy name field |
| 4,552 | bootstrap_labels | name | 1,1-dimethylethyl 4(or 5)-chloro-2-methylcyclohexanecarboxylate | — | Purged legacy name field to enforce prefLabel usage |
| 4,553 | bootstrap_labels | synonyms | ["4-(or 5)Chloro-2-methylcyclohexanecarboxylic acid, 1,1-dimethyl ester","AC1LC1I1","Capilure","Cyclohexanecarboxylic a… | [] | Removed legacy synonyms field in favor of structured labels |
| 30,132 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 30,133 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 214,859 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 231,556 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H21ClO2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 231,557 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,558 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.380J","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['12002-53-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[546164, 20056442]; selected_pubchem_cids=[546164, 20056442]; 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 |
| 249,574 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H21ClO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H21ClO2… | rdkit_pre_consensus from 'CC1CC(CCC1C(=O)OC(C)(C)C)Cl'; added: molecular_mass, monoisotopic_mass |
| 258,219 | consensus_match | altLabel | [] | [{"@value":"Capilure","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consen… | group_key=1,1-dimethylethyl4(or5)-chloro-2-methylcyclohexanecarboxylate||dimension=Environmental > media=Water > water_body=Long-term; cas=12002-53-8; added Common Chemistry CAS names as altLabel: Capilure, Cyclohexanecarboxylic acid, 4(<em>or</em> 5)-chloro-2-methyl-, 1,1-dimethylethyl ester, Cyclohexanecarboxylic acid, 4(<em>or</em> 5)-chloro-2-methyl-, <em>tert</em>-butyl ester, Polycore, Trimedlure; object_uuid=fo-37c86b2df10a2297 |
| 258,220 | consensus_match | cas_match_labels | — | {"12002-53-8":"exactMatch"} | group_key=1,1-dimethylethyl4(or5)-chloro-2-methylcyclohexanecarboxylate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory']; cas_sources={'12002-53-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-37c86b2df10a2297: {'12002-53-8': 'exactMatch'} |
| 281,164 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H21ClO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H21ClO2… | rdkit_post_consensus from 'CC1CC(CCC1C(=O)OC(C)(C)C)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,802 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H21ClO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H21ClO2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,203 | dedupe_altlabels | altLabel | [{"@value":"Capilure","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consen… | [{"@value":"Capilure","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consen… | Deduplicated altLabel values and removed entries matching prefLabel |
| 296,098 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/05b1a77c-ee41-… | associations resolved on the elementary layer |
| 395,976 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260820T1812399309960000/4551 | prefLabel | ef:agent/bootstrap_labels | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v0 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v1 |
| ef:activity/change/20260820T1812399309960000/4552 | name | ef:agent/bootstrap_labels | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v1 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v2 |
| ef:activity/change/20260820T1812399309960000/4553 | synonyms | ef:agent/bootstrap_labels | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v2 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v3 |
| ef:activity/change/20260820T1812399309960000/30132 | context | ef:agent/default_context_mapping | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v3 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v4 |
| ef:activity/change/20260820T1812399309960000/30133 | context_iri | ef:agent/default_context_mapping | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v4 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v5 |
| ef:activity/change/20260820T1812399309960000/214859 | unit_iri | ef:agent/unit_normalization | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v5 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v6 |
| ef:activity/change/20260820T1812399309960000/231556 | properties | ef:agent/enrich_references | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v6 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v7 |
| ef:activity/change/20260820T1812399309960000/231557 | skos_definition | ef:agent/enrich_references | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v7 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v8 |
| ef:activity/change/20260820T1812399309960000/231558 | references | ef:agent/enrich_references | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v8 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v9 |
| ef:activity/change/20260820T1812399309960000/249574 | properties | ef:agent/rdkit_pre_consensus | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v9 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v10 |
| ef:activity/change/20260820T1812399309960000/258219 | altLabel | ef:agent/consensus_match | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v10 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v11 |
| ef:activity/change/20260820T1812399309960000/258220 | cas_match_labels | ef:agent/consensus_match | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v11 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v12 |
| ef:activity/change/20260820T1812399309960000/281164 | properties | ef:agent/rdkit_post_consensus | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v12 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v13 |
| ef:activity/change/20260820T1812399309960000/286802 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v13 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v14 |
| ef:activity/change/20260820T1812399309960000/292203 | altLabel | ef:agent/dedupe_altlabels | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v14 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v15 |
| ef:activity/change/20260820T1812399309960000/296098 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v15 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v16 |
| ef:activity/change/20260820T1812399309960000/395976 | types | ef:agent/link_flows_to_their_substance | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v16 | ef:flow/05b1a77c-ee41-4710-b3b2-a63e61e43e1e/v17 |