2-Octanone
Everything that changed this flow. Back to the flow
4e5c5115-6f39-42d0-b1e0-ad4889390003
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 3712' (registry code), 'NSC 5936' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=111-13-7; cc_chebi_agreed_name='2-Octanone'; object_uuid=fo-865fc8467f823145 |
| cas_match_labels | 1 | consensus_match | group_key=octan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-865fc8467f823145: {'111-13-7': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['111-13-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_87434']; candidate_pubchem_cids=[8093]; selected_pubchem_cids=[8093]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 17,475 | bootstrap_labels | prefLabel | — | [{"@value":"octan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Bootstrapped prefLabel from legacy name field |
| 17,476 | bootstrap_labels | name | octan-2-one | — | Purged legacy name field to enforce prefLabel usage |
| 17,477 | bootstrap_labels | synonyms | ["2-OCTANONE","2-Oxooctane","2-octanon","AC1L1Q8Z","AC1Q2VT2","AC1Q5CI1","BB_SC-6900","Hexyl methyl ketone","I14-5856",… | [] | Removed legacy synonyms field in favor of structured labels |
| 96,496 | 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 |
| 96,497 | 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 |
| 219,067 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,094 | normalize_name_case | prefLabel | [{"@value":"octan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | [{"@value":"Octan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,566 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 243,567 | enrich_references | skos_definition | — | [{"@value":"A methyl ketone that is octane substituted by an oxo group at position 2.","@language":"en","provenance":{"… | Merged ChEBI/PubChem definitions into skos:definition |
| 243,568 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.984D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['111-13-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_87434']; candidate_pubchem_cids=[8093]; selected_pubchem_cids=[8093]; 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 |
| 253,040 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O"],"… | rdkit_pre_consensus from 'CCCCCCC(=O)C'; added: monoisotopic_mass |
| 256,677 | chebi_altlabels | altLabel | [] | [{"@value":"2-octanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"cons… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,132 | consensus_match | prefLabel | [{"@value":"Octan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | [{"@value":"2-Octanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"cons… | cas=111-13-7; cc_chebi_agreed_name='2-Octanone'; object_uuid=fo-865fc8467f823145 |
| 270,133 | consensus_match | altLabel | [{"@value":"2-octanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"cons… | [{"@value":"n-hexyl methyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | cas=111-13-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-865fc8467f823145 |
| 270,134 | consensus_match | altLabel | [{"@value":"n-hexyl methyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"n-hexyl methyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | group_key=octan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=111-13-7; added Common Chemistry CAS names as altLabel: 2-Oxooctane, Hexyl methyl ketone, Methyl <em>n</em>-hexyl ketone, Methyl hexyl ketone, NSC 3712, NSC 5936; object_uuid=fo-865fc8467f823145 |
| 270,135 | consensus_match | cas_match_labels | — | {"111-13-7":"exactMatch"} | group_key=octan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-865fc8467f823145: {'111-13-7': 'exactMatch'} |
| 278,241 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-Octanone' |
| 284,988 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O"],"… | rdkit_post_consensus from 'CCCCCCC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,791 | strip_catalogue_altlabels | altLabel | [{"@value":"n-hexyl methyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"n-hexyl methyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Removed 2 catalogue altLabel value(s): 'NSC 3712' (registry code), 'NSC 5936' (registry code) |
| 329,246 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4e5c5115-6f39-… | associations resolved on the elementary layer |
| 392,597 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O"],"… | typed the way the ontology types it |
| 401,146 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260821T1554374006150000/17475 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v0 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v1 |
| ef:activity/change/20260821T1554374006150000/17476 | name | ef:agent/bootstrap_labels | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v1 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v2 |
| ef:activity/change/20260821T1554374006150000/17477 | synonyms | ef:agent/bootstrap_labels | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v2 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v3 |
| ef:activity/change/20260821T1554374006150000/96496 | context | ef:agent/default_context_mapping | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v3 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v4 |
| ef:activity/change/20260821T1554374006150000/96497 | context_iri | ef:agent/default_context_mapping | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v4 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v5 |
| ef:activity/change/20260821T1554374006150000/219067 | unit_iri | ef:agent/unit_normalization | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v5 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v6 |
| ef:activity/change/20260821T1554374006150000/225094 | prefLabel | ef:agent/normalize_name_case | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v6 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v7 |
| ef:activity/change/20260821T1554374006150000/243566 | properties | ef:agent/enrich_references | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v7 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v8 |
| ef:activity/change/20260821T1554374006150000/243567 | skos_definition | ef:agent/enrich_references | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v8 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v9 |
| ef:activity/change/20260821T1554374006150000/243568 | references | ef:agent/enrich_references | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v9 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v10 |
| ef:activity/change/20260821T1554374006150000/253040 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v10 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v11 |
| ef:activity/change/20260821T1554374006150000/256677 | altLabel | ef:agent/chebi_altlabels | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v11 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v12 |
| ef:activity/change/20260821T1554374006150000/270132 | prefLabel | ef:agent/consensus_match | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v12 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v13 |
| ef:activity/change/20260821T1554374006150000/270133 | altLabel | ef:agent/consensus_match | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v13 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v14 |
| ef:activity/change/20260821T1554374006150000/270134 | altLabel | ef:agent/consensus_match | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v14 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v15 |
| ef:activity/change/20260821T1554374006150000/270135 | cas_match_labels | ef:agent/consensus_match | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v15 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v16 |
| ef:activity/change/20260821T1554374006150000/278241 | properties | ef:agent/opsin_iupac | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v16 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v17 |
| ef:activity/change/20260821T1554374006150000/284988 | properties | ef:agent/rdkit_post_consensus | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v17 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v18 |
| ef:activity/change/20260821T1554374006150000/290791 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v18 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v19 |
| ef:activity/change/20260821T1554374006150000/329246 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v19 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v20 |
| ef:activity/change/20260821T1554374006150000/392597 | properties | ef:agent/normalise_property_values | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v20 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v21 |
| ef:activity/change/20260821T1554374006150000/401146 | types | ef:agent/link_flows_to_their_substance | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v21 | ef:flow/4e5c5115-6f39-42d0-b1e0-ad4889390003/v22 |