6-methylheptan-2-one
Everything that changed this flow. Back to the flow
218522a9-0ff4-4a04-b1e3-22b920f101aa
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 39665' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=6-methylheptan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'928-68-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c9848fee07f212f7: {'928-68-7': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['928-68-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_184396']; candidate_pubchem_cids=[13572, 191993]; selected_pubchem_cids=[13572]; 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 |
|---|---|---|---|---|---|
| 11,461 | bootstrap_labels | prefLabel | — | [{"@value":"6-methylheptan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 11,462 | bootstrap_labels | name | 6-methylheptan-2-one | — | Purged legacy name field to enforce prefLabel usage |
| 11,463 | bootstrap_labels | synonyms | ["2-Heptanone, 6-methyl-","2-Methyl-6-heptanone","6-METHYL-2-HEPTANONE","AC1L220C","DPLGXGDPPMLJHN-UHFFFAOYSA-","Methyl… | [] | Removed legacy synonyms field in favor of structured labels |
| 59,050 | 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 |
| 59,051 | 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 |
| 217,139 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 238,082 | 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) |
| 238,083 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,084 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.176E","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['928-68-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_184396']; candidate_pubchem_cids=[13572, 191993]; selected_pubchem_cids=[13572]; 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 |
| 251,449 | 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 'CC(=O)CCCC(C)C'; added: monoisotopic_mass |
| 263,268 | consensus_match | altLabel | [] | [{"@value":"2-Heptanone, 6-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | group_key=6-methylheptan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=928-68-7; added Common Chemistry CAS names as altLabel: 2-Heptanone, 6-methyl-, 2-Isooctanone, 2-Methyl-6-heptanone, 6-Methyl-2-heptanone, 6-Methylhept-2-one, Isooctan-2-one, Isooctanone, Methyl isohexyl ketone, NSC 39665; object_uuid=fo-c9848fee07f212f7 |
| 263,269 | consensus_match | cas_match_labels | — | {"928-68-7":"exactMatch"} | group_key=6-methylheptan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'928-68-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c9848fee07f212f7: {'928-68-7': 'exactMatch'} |
| 276,627 | 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 '6-methylheptan-2-one' |
| 283,252 | 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 'CC(=O)CCCC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,619 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Heptanone, 6-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | [{"@value":"2-Heptanone, 6-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | Removed 1 catalogue altLabel value(s): 'NSC 39665' (registry code) |
| 310,547 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/218522a9-0ff4-… | associations resolved on the elementary layer |
| 390,984 | 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 |
| 398,834 | 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/20260821T1554374006150000/11461 | prefLabel | ef:agent/bootstrap_labels | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v0 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v1 |
| ef:activity/change/20260821T1554374006150000/11462 | name | ef:agent/bootstrap_labels | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v1 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v2 |
| ef:activity/change/20260821T1554374006150000/11463 | synonyms | ef:agent/bootstrap_labels | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v2 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v3 |
| ef:activity/change/20260821T1554374006150000/59050 | context | ef:agent/default_context_mapping | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v3 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v4 |
| ef:activity/change/20260821T1554374006150000/59051 | context_iri | ef:agent/default_context_mapping | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v4 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v5 |
| ef:activity/change/20260821T1554374006150000/217139 | unit_iri | ef:agent/unit_normalization | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v5 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v6 |
| ef:activity/change/20260821T1554374006150000/238082 | properties | ef:agent/enrich_references | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v6 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v7 |
| ef:activity/change/20260821T1554374006150000/238083 | skos_definition | ef:agent/enrich_references | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v7 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v8 |
| ef:activity/change/20260821T1554374006150000/238084 | references | ef:agent/enrich_references | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v8 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v9 |
| ef:activity/change/20260821T1554374006150000/251449 | properties | ef:agent/rdkit_pre_consensus | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v9 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v10 |
| ef:activity/change/20260821T1554374006150000/263268 | altLabel | ef:agent/consensus_match | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v10 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v11 |
| ef:activity/change/20260821T1554374006150000/263269 | cas_match_labels | ef:agent/consensus_match | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v11 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v12 |
| ef:activity/change/20260821T1554374006150000/276627 | properties | ef:agent/opsin_iupac | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v12 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v13 |
| ef:activity/change/20260821T1554374006150000/283252 | properties | ef:agent/rdkit_post_consensus | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v13 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v14 |
| ef:activity/change/20260821T1554374006150000/289619 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v14 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v15 |
| ef:activity/change/20260821T1554374006150000/310547 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v15 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v16 |
| ef:activity/change/20260821T1554374006150000/390984 | properties | ef:agent/normalise_property_values | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v16 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v17 |
| ef:activity/change/20260821T1554374006150000/398834 | types | ef:agent/link_flows_to_their_substance | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v17 | ef:flow/218522a9-0ff4-4a04-b1e3-22b920f101aa/v18 |