5-methylheptan-3-one
Everything that changed this flow. Back to the flow
852053d6-f11b-4eb4-b93e-8e7d214c6f0f
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 100734' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=5-methylheptan-3-one||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'541-85-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9d72c13129307e47: {'541-85-5': '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=['541-85-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_195858']; candidate_pubchem_cids=[7822, 211505]; selected_pubchem_cids=[7822]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 15,124 | bootstrap_labels | prefLabel | — | [{"@value":"5-methylheptan-3-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 15,125 | bootstrap_labels | name | 5-methylheptan-3-one | — | Purged legacy name field to enforce prefLabel usage |
| 21,389 | bootstrap_labels | synonyms | ["'Ethyl isoamyl ketone'","2-Methylbutyl ethyl ketone","3-Heptanone, 5-methyl-","3-Methyl-5-heptanone","5-METHYL-3-HEPT… | [] | Removed legacy synonyms field in favor of structured labels |
| 128,942 | 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 |
| 128,943 | 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 |
| 218,321 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 241,469 | 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) |
| 241,470 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,471 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.642E","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['541-85-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_195858']; candidate_pubchem_cids=[7822, 211505]; selected_pubchem_cids=[7822]; 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 |
| 252,436 | 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 'CCC(=O)CC(C)CC'; added: monoisotopic_mass |
| 263,132 | consensus_match | altLabel | [] | [{"@value":"(±)-5-Methyl-3-heptanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | group_key=5-methylheptan-3-one||dimension=Environmental > media=Air > indoor=Unknown; cas=541-85-5; added Common Chemistry CAS names as altLabel: (±)-5-Methyl-3-heptanone, 2-Methylbutyl ethyl ketone, 3-Heptanone, 5-methyl-, 3-Methyl-5-heptanone, 5-Methyl-3-heptanone, Ethyl 2-methylbutyl ketone, NSC 100734; object_uuid=fo-9d72c13129307e47 |
| 263,133 | consensus_match | cas_match_labels | — | {"541-85-5":"exactMatch"} | group_key=5-methylheptan-3-one||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'541-85-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9d72c13129307e47: {'541-85-5': 'exactMatch'} |
| 277,629 | 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 '5-methylheptan-3-one' |
| 284,328 | 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 'CCC(=O)CC(C)CC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,341 | strip_catalogue_altlabels | altLabel | [{"@value":"(±)-5-Methyl-3-heptanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | [{"@value":"(±)-5-Methyl-3-heptanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | Removed 1 catalogue altLabel value(s): 'NSC 100734' (registry code) |
| 345,472 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/852053d6-f11b-… | associations resolved on the elementary layer |
| 391,984 | 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 |
| 400,256 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1554374006150000/15124 | prefLabel | ef:agent/bootstrap_labels | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v0 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v1 |
| ef:activity/change/20260821T1554374006150000/15125 | name | ef:agent/bootstrap_labels | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v1 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v2 |
| ef:activity/change/20260821T1554374006150000/21389 | synonyms | ef:agent/bootstrap_labels | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v2 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v3 |
| ef:activity/change/20260821T1554374006150000/128942 | context | ef:agent/default_context_mapping | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v3 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v4 |
| ef:activity/change/20260821T1554374006150000/128943 | context_iri | ef:agent/default_context_mapping | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v4 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v5 |
| ef:activity/change/20260821T1554374006150000/218321 | unit_iri | ef:agent/unit_normalization | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v5 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v6 |
| ef:activity/change/20260821T1554374006150000/241469 | properties | ef:agent/enrich_references | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v6 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v7 |
| ef:activity/change/20260821T1554374006150000/241470 | skos_definition | ef:agent/enrich_references | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v7 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v8 |
| ef:activity/change/20260821T1554374006150000/241471 | references | ef:agent/enrich_references | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v8 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v9 |
| ef:activity/change/20260821T1554374006150000/252436 | properties | ef:agent/rdkit_pre_consensus | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v9 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v10 |
| ef:activity/change/20260821T1554374006150000/263132 | altLabel | ef:agent/consensus_match | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v10 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v11 |
| ef:activity/change/20260821T1554374006150000/263133 | cas_match_labels | ef:agent/consensus_match | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v11 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v12 |
| ef:activity/change/20260821T1554374006150000/277629 | properties | ef:agent/opsin_iupac | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v12 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v13 |
| ef:activity/change/20260821T1554374006150000/284328 | properties | ef:agent/rdkit_post_consensus | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v13 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v14 |
| ef:activity/change/20260821T1554374006150000/290341 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v14 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v15 |
| ef:activity/change/20260821T1554374006150000/345472 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v15 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v16 |
| ef:activity/change/20260821T1554374006150000/391984 | properties | ef:agent/normalise_property_values | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v16 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v17 |
| ef:activity/change/20260821T1554374006150000/400256 | types | ef:agent/link_flows_to_their_substance | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v17 | ef:flow/852053d6-f11b-4eb4-b93e-8e7d214c6f0f/v18 |