Undecan-2-one
Everything that changed this flow. Back to the flow
b5992880-dbf9-4fe9-b382-c3917f47a545
By field
14 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 1 catalogue altLabel value(s): 'NSC 4028' (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=undecan-2-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'112-12-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-46ecc4b5ebc76de5: {'112-12-9': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['112-12-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17700']; candidate_pubchem_cids=[8163]; selected_pubchem_cids=[8163]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,510 | bootstrap_labels | prefLabel | — | [{"@value":"undecan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 14,511 | bootstrap_labels | name | undecan-2-one | — | Purged legacy name field to enforce prefLabel usage |
| 14,512 | bootstrap_labels | synonyms | ["2-Hendecanone","2-Oxoundecane","2-Undecanone","2-undecanon","AC1L1QEM","AC1Q5H8X","BB_SC-6944","I14-10598","Jsp000923… | [] | Removed legacy synonyms field in favor of structured labels |
| 157,642 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 157,643 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 218,134 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,455 | normalize_name_case | prefLabel | [{"@value":"undecan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Undecan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,926 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 240,927 | enrich_references | skos_definition | — | [{"@value":"A dialkyl ketone with methyl and nonyl as the two alkyl groups.","@language":"en","provenance":{"prov:wasGe… | Merged ChEBI/PubChem definitions into skos:definition |
| 240,928 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.119E","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['112-12-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17700']; candidate_pubchem_cids=[8163]; selected_pubchem_cids=[8163]; 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 |
| 252,282 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O"],… | rdkit_pre_consensus from 'CCCCCCCCCC(=O)C'; added: monoisotopic_mass |
| 256,334 | chebi_altlabels | altLabel | [] | [{"@value":"2-Hendecanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 273,195 | consensus_match | altLabel | [{"@value":"2-Hendecanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"2-Hendecanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | group_key=undecan-2-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=112-12-9; added Common Chemistry CAS names as altLabel: BioUD, BioUD 30, BioUD 8, Methyl <em>n</em>-nonyl ketone, Mostique EGX 101, NSC 4028, Nonyl methyl ketone; object_uuid=fo-46ecc4b5ebc76de5 |
| 273,196 | consensus_match | cas_match_labels | — | {"112-12-9":"exactMatch"} | group_key=undecan-2-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'112-12-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-46ecc4b5ebc76de5: {'112-12-9': 'exactMatch'} |
| 277,491 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Undecan-2-one' |
| 284,177 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O"],… | rdkit_post_consensus from 'CCCCCCCCCC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,252 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Hendecanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"2-Hendecanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Removed 1 catalogue altLabel value(s): 'NSC 4028' (registry code) |
| 359,866 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b5992880-dbf9-… | associations resolved on the elementary layer |
| 391,846 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O"],… | typed the way the ontology types it |
| 400,048 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 400,049 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_25944","rdfs:label":"pesticide","http://www.w3.org/2004/02/skos/core#defi… | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260820T0738569779880000/14510 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v0 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v1 |
| ef:activity/change/20260820T0738569779880000/14511 | name | ef:agent/bootstrap_labels | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v1 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v2 |
| ef:activity/change/20260820T0738569779880000/14512 | synonyms | ef:agent/bootstrap_labels | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v2 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v3 |
| ef:activity/change/20260820T0738569779880000/157642 | context | ef:agent/default_context_mapping | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v3 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v4 |
| ef:activity/change/20260820T0738569779880000/157643 | context_iri | ef:agent/default_context_mapping | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v4 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v5 |
| ef:activity/change/20260820T0738569779880000/218134 | unit_iri | ef:agent/unit_normalization | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v5 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v6 |
| ef:activity/change/20260820T0738569779880000/224455 | prefLabel | ef:agent/normalize_name_case | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v6 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v7 |
| ef:activity/change/20260820T0738569779880000/240926 | properties | ef:agent/enrich_references | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v7 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v8 |
| ef:activity/change/20260820T0738569779880000/240927 | skos_definition | ef:agent/enrich_references | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v8 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v9 |
| ef:activity/change/20260820T0738569779880000/240928 | references | ef:agent/enrich_references | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v9 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v10 |
| ef:activity/change/20260820T0738569779880000/252282 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v10 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v11 |
| ef:activity/change/20260820T0738569779880000/256334 | altLabel | ef:agent/chebi_altlabels | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v11 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v12 |
| ef:activity/change/20260820T0738569779880000/273195 | altLabel | ef:agent/consensus_match | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v12 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v13 |
| ef:activity/change/20260820T0738569779880000/273196 | cas_match_labels | ef:agent/consensus_match | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v13 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v14 |
| ef:activity/change/20260820T0738569779880000/277491 | properties | ef:agent/opsin_iupac | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v14 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v15 |
| ef:activity/change/20260820T0738569779880000/284177 | properties | ef:agent/rdkit_post_consensus | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v15 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v16 |
| ef:activity/change/20260820T0738569779880000/290252 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v16 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v17 |
| ef:activity/change/20260820T0738569779880000/359866 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v17 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v18 |
| ef:activity/change/20260820T0738569779880000/391846 | properties | ef:agent/normalise_property_values | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v18 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v19 |
| ef:activity/change/20260820T0738569779880000/400048 | types | ef:agent/link_flows_to_their_substance | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v19 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v20 |
| ef:activity/change/20260820T0738569779880000/400049 | roles | ef:agent/link_flows_to_their_substance | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v20 | ef:flow/b5992880-dbf9-4fe9-b382-c3917f47a545/v21 |