4-methyl-6-(2,4,4-trimethylpentyl)-2h-pyran-2-one
Everything that changed this flow. Back to the flow
6b947244-bb44-4e0f-914d-d2e3aea2b6c1
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 | 1 | consensus_match | group_key=4-methyl-6-(2,4,4-trimethylpentyl)-2h-pyran-2-one||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=50650-75-4; added Common Chemistry CAS names as altLabel: 2<em>H</em>-Pyran-2-one, 4-methyl-6-(2,4,4-trimethylpentyl)-; object_uuid=fo-78b24ffd15989f7e |
| cas_match_labels | 1 | consensus_match | group_key=4-methyl-6-(2,4,4-trimethylpentyl)-2h-pyran-2-one||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['pubchem']; cas_sources={'50650-75-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-78b24ffd15989f7e: {'50650-75-4': '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 air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 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=['50650-75-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[18970429]; selected_pubchem_cids=[18970429]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,707 | bootstrap_labels | prefLabel | — | [{"@value":"4-methyl-6-(2,4,4-trimethylpentyl)-2h-pyran-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | Bootstrapped prefLabel from legacy name field |
| 11,708 | bootstrap_labels | name | 4-methyl-6-(2,4,4-trimethylpentyl)-2h-pyran-2-one | — | Purged legacy name field to enforce prefLabel usage |
| 11,709 | bootstrap_labels | synonyms | ["organic","2h-pyran-2-one,4-methyl-6-(2,4,4-trimethylpentyl)-"] | [] | Removed legacy synonyms field in favor of structured labels |
| 113,852 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 113,853 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 217,222 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 238,326 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,327 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,328 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.113.342","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['50650-75-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[18970429]; selected_pubchem_cids=[18970429]; 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 |
| 251,520 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O2"]… | rdkit_pre_consensus from 'CC1=CC(=O)OC(=C1)CC(C)CC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 262,809 | consensus_match | altLabel | [] | [{"@value":"2<em>H</em>-Pyran-2-one, 4-methyl-6-(2,4,4-trimethylpentyl)-","@language":"en","source":{"prov:wasGenerated… | group_key=4-methyl-6-(2,4,4-trimethylpentyl)-2h-pyran-2-one||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=50650-75-4; added Common Chemistry CAS names as altLabel: 2<em>H</em>-Pyran-2-one, 4-methyl-6-(2,4,4-trimethylpentyl)-; object_uuid=fo-78b24ffd15989f7e |
| 262,810 | consensus_match | cas_match_labels | — | {"50650-75-4":"exactMatch"} | group_key=4-methyl-6-(2,4,4-trimethylpentyl)-2h-pyran-2-one||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['pubchem']; cas_sources={'50650-75-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-78b24ffd15989f7e: {'50650-75-4': 'exactMatch'} |
| 276,704 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-methyl-6-(2,4,4-trimethylpentyl)-2h-pyran-2-one' |
| 283,332 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O2"]… | rdkit_post_consensus from 'Cc1cc(CC(C)CC(C)(C)C)oc(=O)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 337,925 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6b947244-bb44-… | associations resolved on the elementary layer |
| 391,059 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O2"]… | typed the way the ontology types it |
| 398,929 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1554374006150000/11707 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v0 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v1 |
| ef:activity/change/20260821T1554374006150000/11708 | name | ef:agent/bootstrap_labels | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v1 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v2 |
| ef:activity/change/20260821T1554374006150000/11709 | synonyms | ef:agent/bootstrap_labels | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v2 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v3 |
| ef:activity/change/20260821T1554374006150000/113852 | context | ef:agent/default_context_mapping | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v3 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v4 |
| ef:activity/change/20260821T1554374006150000/113853 | context_iri | ef:agent/default_context_mapping | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v4 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v5 |
| ef:activity/change/20260821T1554374006150000/217222 | unit_iri | ef:agent/unit_normalization | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v5 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v6 |
| ef:activity/change/20260821T1554374006150000/238326 | properties | ef:agent/enrich_references | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v6 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v7 |
| ef:activity/change/20260821T1554374006150000/238327 | skos_definition | ef:agent/enrich_references | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v7 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v8 |
| ef:activity/change/20260821T1554374006150000/238328 | references | ef:agent/enrich_references | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v8 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v9 |
| ef:activity/change/20260821T1554374006150000/251520 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v9 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v10 |
| ef:activity/change/20260821T1554374006150000/262809 | altLabel | ef:agent/consensus_match | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v10 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v11 |
| ef:activity/change/20260821T1554374006150000/262810 | cas_match_labels | ef:agent/consensus_match | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v11 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v12 |
| ef:activity/change/20260821T1554374006150000/276704 | properties | ef:agent/opsin_iupac | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v12 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v13 |
| ef:activity/change/20260821T1554374006150000/283332 | properties | ef:agent/rdkit_post_consensus | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v13 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v14 |
| ef:activity/change/20260821T1554374006150000/337925 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v14 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v15 |
| ef:activity/change/20260821T1554374006150000/391059 | properties | ef:agent/normalise_property_values | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v15 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v16 |
| ef:activity/change/20260821T1554374006150000/398929 | types | ef:agent/link_flows_to_their_substance | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v16 | ef:flow/6b947244-bb44-4e0f-914d-d2e3aea2b6c1/v17 |