2-isopropyl-6-methyl-1H-pyrimidin-4-one
Everything that changed this flow. Back to the flow
9891ca76-dd43-480e-82e8-752a273cc6e0
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'G 27550' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=2-isopropyl-6-methyl-1h-pyrimidin-4-one||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2814-20-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2bf7d90914de8d2c: {'2814-20-2': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 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=['2814-20-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[77663349, 135444498]; selected_pubchem_cids=[135444498]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 459 | bootstrap_labels | prefLabel | — | [{"@value":"2-isopropyl-6-methyl-1H-pyrimidin-4-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 460 | bootstrap_labels | name | 2-isopropyl-6-methyl-1H-pyrimidin-4-one | — | Purged legacy name field to enforce prefLabel usage |
| 461 | bootstrap_labels | synonyms | ["2-ISOPROPYL-6-METHYL-4-PYRIMIDONE","2-Isopropyl-4-methyl-6-hydroxypyrimidine","2-Isopropyl-6-methyl-4-pyrimidinol","2… | [] | Removed legacy synonyms field in favor of structured labels |
| 140,404 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 140,405 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 213,492 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,607 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,608 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,609 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.007I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['2814-20-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[77663349, 135444498]; selected_pubchem_cids=[135444498]; 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 |
| 248,439 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O"]… | rdkit_pre_consensus from 'CC1=CC(=O)NC(=N1)C(C)C'; added: molecular_mass, monoisotopic_mass |
| 260,997 | consensus_match | altLabel | [] | [{"@value":"2-Isopropyl-4-hydroxy-6-methylpyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=2-isopropyl-6-methyl-1h-pyrimidin-4-one||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=2814-20-2; added Common Chemistry CAS names as altLabel: 2-Isopropyl-4-hydroxy-6-methylpyrimidine, 2-Isopropyl-4-methyl-6-hydroxypyrimidine, 2-Isopropyl-4-methyl-6-pyrimidinone, 2-Isopropyl-4-methylpyrimidin-6-ol, 2-Isopropyl-6-methyl-4(3<em>H</em>)-pyrimidone, 2-Isopropyl-6-methyl-4-hydroxypyrimidine, 2-Isopropyl-6-methyl-4-pyrimidinol, 2-Isopropyl-6-methyl-4-pyrimidone, 4(1<em>H</em>)-Pyrimidinone, 2-isopropyl-6-methyl-, 4(1<em>H</em>)-Pyrimidinone, 6-methyl-2-(1-methylethyl)-, 4(3<em>H</em>)-Pyrimidinone, 6-methyl-2-(1-methylethyl)-, 4-Hydroxy-2-isopropyl-6-methylpyrimidine, 4-Pyrimidinol, 2-isopropyl-6-methyl-, 6-Methyl-2-(1-methylethyl)-4(3<em>H</em>)-pyrimidinone, G 27550, IMHP, Pyrimidinol; object_uuid=fo-2bf7d90914de8d2c |
| 260,998 | consensus_match | cas_match_labels | — | {"2814-20-2":"exactMatch"} | group_key=2-isopropyl-6-methyl-1h-pyrimidin-4-one||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2814-20-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2bf7d90914de8d2c: {'2814-20-2': 'exactMatch'} |
| 273,579 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-isopropyl-6-methyl-1H-pyrimidin-4-one' |
| 279,939 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O"]… | rdkit_post_consensus from 'Cc1cc(=O)nc(C(C)C)[nH]1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,358 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Isopropyl-4-hydroxy-6-methylpyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"2-Isopropyl-4-hydroxy-6-methylpyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Removed 1 catalogue altLabel value(s): 'G 27550' (grade code) |
| 351,223 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9891ca76-dd43-… | associations resolved on the elementary layer |
| 387,857 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O"]… | typed the way the ontology types it |
| 394,369 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 394,370 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O"]… | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260820T0738569779880000/459 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v0 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v1 |
| ef:activity/change/20260820T0738569779880000/460 | name | ef:agent/bootstrap_labels | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v1 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v2 |
| ef:activity/change/20260820T0738569779880000/461 | synonyms | ef:agent/bootstrap_labels | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v2 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v3 |
| ef:activity/change/20260820T0738569779880000/140404 | context | ef:agent/default_context_mapping | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v3 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v4 |
| ef:activity/change/20260820T0738569779880000/140405 | context_iri | ef:agent/default_context_mapping | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v4 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v5 |
| ef:activity/change/20260820T0738569779880000/213492 | unit_iri | ef:agent/unit_normalization | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v5 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v6 |
| ef:activity/change/20260820T0738569779880000/227607 | properties | ef:agent/enrich_references | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v6 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v7 |
| ef:activity/change/20260820T0738569779880000/227608 | skos_definition | ef:agent/enrich_references | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v7 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v8 |
| ef:activity/change/20260820T0738569779880000/227609 | references | ef:agent/enrich_references | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v8 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v9 |
| ef:activity/change/20260820T0738569779880000/248439 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v9 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v10 |
| ef:activity/change/20260820T0738569779880000/260997 | altLabel | ef:agent/consensus_match | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v10 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v11 |
| ef:activity/change/20260820T0738569779880000/260998 | cas_match_labels | ef:agent/consensus_match | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v11 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v12 |
| ef:activity/change/20260820T0738569779880000/273579 | properties | ef:agent/opsin_iupac | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v12 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v13 |
| ef:activity/change/20260820T0738569779880000/279939 | properties | ef:agent/rdkit_post_consensus | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v13 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v14 |
| ef:activity/change/20260820T0738569779880000/287358 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v14 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v15 |
| ef:activity/change/20260820T0738569779880000/351223 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v15 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v16 |
| ef:activity/change/20260820T0738569779880000/387857 | properties | ef:agent/normalise_property_values | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v16 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v17 |
| ef:activity/change/20260820T0738569779880000/394369 | types | ef:agent/link_flows_to_their_substance | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v17 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v18 |
| ef:activity/change/20260820T0738569779880000/394370 | properties | ef:agent/link_flows_to_their_substance | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v18 | ef:flow/9891ca76-dd43-480e-82e8-752a273cc6e0/v19 |