3-Octanone
Everything that changed this flow. Back to the flow
9e41d041-914e-4395-8564-ada97e458d41
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 60161' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=106-68-3; cc_chebi_agreed_name='3-Octanone'; object_uuid=fo-5dfd588d986a4c47 |
| cas_match_labels | 1 | consensus_match | group_key=octan-3-one||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'106-68-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5dfd588d986a4c47: {'106-68-3': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['106-68-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_80946']; candidate_pubchem_cids=[12280, 246728]; selected_pubchem_cids=[246728]; 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
23| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 13,034 | bootstrap_labels | prefLabel | — | [{"@value":"octan-3-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Bootstrapped prefLabel from legacy name field |
| 13,035 | bootstrap_labels | name | octan-3-one | — | Purged legacy name field to enforce prefLabel usage |
| 24,517 | bootstrap_labels | synonyms | ["octan-3-one","radiaeake","3-octanone","ethylamylketone","octan-3-0ne","octan-3-one(ethylamylketone)","'Ethyl isoamyl… | [] | Removed legacy synonyms field in favor of structured labels |
| 143,900 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 143,901 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 217,654 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,116 | normalize_name_case | prefLabel | [{"@value":"octan-3-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | [{"@value":"Octan-3-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) |
| 239,553 | 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) |
| 239,554 | enrich_references | skos_definition | — | [{"@value":"A dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an o… | Merged ChEBI/PubChem definitions into skos:definition |
| 239,555 | enrich_references | references | [] | [{"@id":"agr:IND20372171","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['106-68-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_80946']; candidate_pubchem_cids=[12280, 246728]; selected_pubchem_cids=[246728]; 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 |
| 251,880 | 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 'CCCCCC(=O)CC'; added: monoisotopic_mass |
| 256,174 | chebi_altlabels | altLabel | [] | [{"@value":"3-Oxooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,156 | consensus_match | prefLabel | [{"@value":"Octan-3-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | [{"@value":"3-Octanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"cons… | cas=106-68-3; cc_chebi_agreed_name='3-Octanone'; object_uuid=fo-5dfd588d986a4c47 |
| 270,157 | consensus_match | altLabel | [{"@value":"3-Oxooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"3-Oxooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | cas=106-68-3; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-5dfd588d986a4c47 |
| 270,158 | consensus_match | altLabel | [{"@value":"3-Oxooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"3-Oxooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | group_key=octan-3-one||dimension=Environmental > media=Water > water_body=Unknown; cas=106-68-3; added Common Chemistry CAS names as altLabel: 3-Octanal, <em>n</em>-Octanone-3, NSC 60161; object_uuid=fo-5dfd588d986a4c47 |
| 270,159 | consensus_match | cas_match_labels | — | {"106-68-3":"exactMatch"} | group_key=octan-3-one||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'106-68-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5dfd588d986a4c47: {'106-68-3': 'exactMatch'} |
| 277,087 | 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 '3-Octanone' |
| 283,742 | 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 'CCCCCC(=O)CC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,953 | strip_catalogue_altlabels | altLabel | [{"@value":"3-Oxooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"3-Oxooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Removed 1 catalogue altLabel value(s): 'NSC 60161' (registry code) |
| 352,972 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9e41d041-914e-… | associations resolved on the elementary layer |
| 391,439 | 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 |
| 399,463 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 399,464 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_22583","rdfs:label":"antifeedant","http://www.w3.org/2004/02/skos/core#de… | the substance's answer, copied onto its flow |
PROV-O trail
23 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/20260820T0738569779880000/13034 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v0 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v1 |
| ef:activity/change/20260820T0738569779880000/13035 | name | ef:agent/bootstrap_labels | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v1 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v2 |
| ef:activity/change/20260820T0738569779880000/24517 | synonyms | ef:agent/bootstrap_labels | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v2 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v3 |
| ef:activity/change/20260820T0738569779880000/143900 | context | ef:agent/default_context_mapping | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v3 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v4 |
| ef:activity/change/20260820T0738569779880000/143901 | context_iri | ef:agent/default_context_mapping | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v4 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v5 |
| ef:activity/change/20260820T0738569779880000/217654 | unit_iri | ef:agent/unit_normalization | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v5 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v6 |
| ef:activity/change/20260820T0738569779880000/224116 | prefLabel | ef:agent/normalize_name_case | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v6 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v7 |
| ef:activity/change/20260820T0738569779880000/239553 | properties | ef:agent/enrich_references | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v7 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v8 |
| ef:activity/change/20260820T0738569779880000/239554 | skos_definition | ef:agent/enrich_references | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v8 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v9 |
| ef:activity/change/20260820T0738569779880000/239555 | references | ef:agent/enrich_references | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v9 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v10 |
| ef:activity/change/20260820T0738569779880000/251880 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v10 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v11 |
| ef:activity/change/20260820T0738569779880000/256174 | altLabel | ef:agent/chebi_altlabels | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v11 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v12 |
| ef:activity/change/20260820T0738569779880000/270156 | prefLabel | ef:agent/consensus_match | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v12 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v13 |
| ef:activity/change/20260820T0738569779880000/270157 | altLabel | ef:agent/consensus_match | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v13 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v14 |
| ef:activity/change/20260820T0738569779880000/270158 | altLabel | ef:agent/consensus_match | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v14 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v15 |
| ef:activity/change/20260820T0738569779880000/270159 | cas_match_labels | ef:agent/consensus_match | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v15 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v16 |
| ef:activity/change/20260820T0738569779880000/277087 | properties | ef:agent/opsin_iupac | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v16 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v17 |
| ef:activity/change/20260820T0738569779880000/283742 | properties | ef:agent/rdkit_post_consensus | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v17 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v18 |
| ef:activity/change/20260820T0738569779880000/289953 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v18 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v19 |
| ef:activity/change/20260820T0738569779880000/352972 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v19 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v20 |
| ef:activity/change/20260820T0738569779880000/391439 | properties | ef:agent/normalise_property_values | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v20 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v21 |
| ef:activity/change/20260820T0738569779880000/399463 | types | ef:agent/link_flows_to_their_substance | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v21 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v22 |
| ef:activity/change/20260820T0738569779880000/399464 | roles | ef:agent/link_flows_to_their_substance | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v22 | ef:flow/9e41d041-914e-4395-8564-ada97e458d41/v23 |