2-methylcyclohexanone
Everything that changed this flow. Back to the flow
6f2599d3-167d-4111-a569-427bbaede8bd
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'FEMA 3946' (grade code), 'NSC 524' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-methylcyclohexanone||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'583-60-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-af913df38a90c732: {'583-60-8': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 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=['583-60-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_195390']; candidate_pubchem_cids=[11419, 220297, 637553, 7057963, 13265823]; selected_pubchem_cids=[11419]; 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 |
|---|---|---|---|---|---|
| 3,068 | bootstrap_labels | prefLabel | — | [{"@value":"2-methylcyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 3,069 | bootstrap_labels | name | 2-methylcyclohexanone | — | Purged legacy name field to enforce prefLabel usage |
| 3,070 | bootstrap_labels | synonyms | [".alpha.-Methylcyclohexanone","2-Methyl-1-cyclohexanone","2-Methyl-cyclohexanon","2-Methyl-cyclohexanon (german, dutch… | [] | Removed legacy synonyms field in favor of structured labels |
| 115,988 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 115,989 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 214,363 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 230,126 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,127 | enrich_references | skos_definition | — | [{"@value":"A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 2."… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,128 | enrich_references | references | [] | [{"@id":"agr:IND44091056","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['583-60-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_195390']; candidate_pubchem_cids=[11419, 220297, 637553, 7057963, 13265823]; selected_pubchem_cids=[11419]; 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 |
| 249,168 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O"],"… | rdkit_pre_consensus from 'CC1CCCCC1=O'; added: monoisotopic_mass |
| 254,728 | chebi_altlabels | altLabel | [] | [{"@value":"2-methyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,142 | consensus_match | altLabel | [{"@value":"2-methyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"2-methyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=2-methylcyclohexanone||dimension=Environmental > media=Water > water_body=Surface water; cas=583-60-8; added Common Chemistry CAS names as altLabel: (±)-2-Methylcyclohexanone, Cyclohexanone, 2-methyl-, NSC 524, α-Methylcyclohexanone; object_uuid=fo-af913df38a90c732 |
| 261,143 | consensus_match | cas_match_labels | — | {"583-60-8":"exactMatch"} | group_key=2-methylcyclohexanone||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'583-60-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-af913df38a90c732: {'583-60-8': 'exactMatch'} |
| 274,280 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methylcyclohexanone' |
| 280,711 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O"],"… | rdkit_post_consensus from 'CC1CCCCC1=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,857 | strip_catalogue_altlabels | altLabel | [{"@value":"2-methyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"2-methyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Removed 2 catalogue altLabel value(s): 'FEMA 3946' (grade code), 'NSC 524' (registry code) |
| 338,991 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6f2599d3-167d-… | associations resolved on the elementary layer |
| 388,577 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O"],"… | typed the way the ontology types it |
| 395,376 | 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/20260821T1122181958110000/3068 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v0 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v1 |
| ef:activity/change/20260821T1122181958110000/3069 | name | ef:agent/bootstrap_labels | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v1 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v2 |
| ef:activity/change/20260821T1122181958110000/3070 | synonyms | ef:agent/bootstrap_labels | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v2 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v3 |
| ef:activity/change/20260821T1122181958110000/115988 | context | ef:agent/default_context_mapping | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v3 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v4 |
| ef:activity/change/20260821T1122181958110000/115989 | context_iri | ef:agent/default_context_mapping | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v4 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v5 |
| ef:activity/change/20260821T1122181958110000/214363 | unit_iri | ef:agent/unit_normalization | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v5 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v6 |
| ef:activity/change/20260821T1122181958110000/230126 | properties | ef:agent/enrich_references | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v6 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v7 |
| ef:activity/change/20260821T1122181958110000/230127 | skos_definition | ef:agent/enrich_references | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v7 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v8 |
| ef:activity/change/20260821T1122181958110000/230128 | references | ef:agent/enrich_references | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v8 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v9 |
| ef:activity/change/20260821T1122181958110000/249168 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v9 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v10 |
| ef:activity/change/20260821T1122181958110000/254728 | altLabel | ef:agent/chebi_altlabels | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v10 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v11 |
| ef:activity/change/20260821T1122181958110000/261142 | altLabel | ef:agent/consensus_match | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v11 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v12 |
| ef:activity/change/20260821T1122181958110000/261143 | cas_match_labels | ef:agent/consensus_match | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v12 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v13 |
| ef:activity/change/20260821T1122181958110000/274280 | properties | ef:agent/opsin_iupac | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v13 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v14 |
| ef:activity/change/20260821T1122181958110000/280711 | properties | ef:agent/rdkit_post_consensus | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v14 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v15 |
| ef:activity/change/20260821T1122181958110000/287857 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v15 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v16 |
| ef:activity/change/20260821T1122181958110000/338991 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v16 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v17 |
| ef:activity/change/20260821T1122181958110000/388577 | properties | ef:agent/normalise_property_values | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v17 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v18 |
| ef:activity/change/20260821T1122181958110000/395376 | types | ef:agent/link_flows_to_their_substance | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v18 | ef:flow/6f2599d3-167d-4111-a569-427bbaede8bd/v19 |