Methylpentynol
Everything that changed this flow. Back to the flow
548d3651-b213-47df-b390-54c236d5dddc
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 28797' (registry code), 'NSC 975' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=methylpentynol||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'77-75-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-61b740792eb6daac: {'77-75-8': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['77-75-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_134752']; candidate_pubchem_cids=[596, 6494, 92764, 639841, 1384046, 15256937, 126842341]; selected_pubchem_cids=[6494]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 17,909 | bootstrap_labels | prefLabel | — | [{"@value":"methylpentynol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 17,910 | bootstrap_labels | name | methylpentynol | — | Purged legacy name field to enforce prefLabel usage |
| 17,911 | bootstrap_labels | synonyms | ["(+-)-3-Methylpent-1-yn-3-ol",".alpha.-Ethyl-.alpha.-methylpropargyl alcohol","1-Pentyn-3-ol, 3-methyl-","2-Butanol, 2… | [] | Removed legacy synonyms field in favor of structured labels |
| 100,104 | 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 |
| 100,105 | 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 |
| 219,204 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,188 | normalize_name_case | prefLabel | [{"@value":"methylpentynol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Methylpentynol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,957 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 243,958 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,959 | enrich_references | references | [] | [{"@id":"drugcentral:1687","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['77-75-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_134752']; candidate_pubchem_cids=[596, 6494, 92764, 639841, 1384046, 15256937, 126842341]; selected_pubchem_cids=[6494]; 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 |
| 253,152 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O"],"… | rdkit_pre_consensus from 'C#CC(C)(O)CC'; added: monoisotopic_mass |
| 256,740 | chebi_altlabels | altLabel | [] | [{"@value":"atemorin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,976 | consensus_match | altLabel | [{"@value":"atemorin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"atemorin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | group_key=methylpentynol||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=77-75-8; added Common Chemistry CAS names as altLabel: (±)-3-Methylpent-1-yn-3-ol, 1-Pentyn-3-ol, 3-methyl-, 2-Butanol, 2-ethynyl-, 2-Ethynyl-2-butanol, 3-Hydroxy-3-methyl-1-pentyne, 3-Methyl-1-pentyn-3-ol, 3-Methyl-1-pentyne-3-ol, 3-Methyl-4-pentyn-3-ol, 3-Methylpent-1-yn-3-ol, Allotropal, Anti-stress, Apridol, Atempol, Citodorm, Dalgol, Dorison, Dormalest, Dormidin, Dormigen, Dormiphen, Dormison, Dormosan, Ethynylethylmethylcarbinol, Formison, Hesofen, Hexofen, Imnudorm, NSC 28797, NSC 975, Oblivon, Olfine P, Pentadorm, Pentinol, Pentydorm, Perlopal, Riposon, Sedapercut, Seral, Somnesin, α-Ethyl-α-methylpropargyl alcohol; object_uuid=fo-61b740792eb6daac |
| 268,977 | consensus_match | cas_match_labels | — | {"77-75-8":"exactMatch"} | group_key=methylpentynol||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'77-75-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-61b740792eb6daac: {'77-75-8': 'exactMatch'} |
| 278,355 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(±)-3-Methylpent-1-yn-3-ol' |
| 285,112 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O"],"… | rdkit_post_consensus from 'C#CC(C)(O)CC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,866 | strip_catalogue_altlabels | altLabel | [{"@value":"atemorin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"atemorin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | Removed 2 catalogue altLabel value(s): 'NSC 28797' (registry code), 'NSC 975' (registry code) |
| 331,049 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/548d3651-b213-… | associations resolved on the elementary layer |
| 392,719 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O"],"… | typed the way the ontology types it |
| 401,326 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/17909 | prefLabel | ef:agent/bootstrap_labels | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v0 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v1 |
| ef:activity/change/20260822T0600486828500000/17910 | name | ef:agent/bootstrap_labels | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v1 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v2 |
| ef:activity/change/20260822T0600486828500000/17911 | synonyms | ef:agent/bootstrap_labels | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v2 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v3 |
| ef:activity/change/20260822T0600486828500000/100104 | context | ef:agent/default_context_mapping | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v3 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v4 |
| ef:activity/change/20260822T0600486828500000/100105 | context_iri | ef:agent/default_context_mapping | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v4 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v5 |
| ef:activity/change/20260822T0600486828500000/219204 | unit_iri | ef:agent/unit_normalization | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v5 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v6 |
| ef:activity/change/20260822T0600486828500000/225188 | prefLabel | ef:agent/normalize_name_case | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v6 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v7 |
| ef:activity/change/20260822T0600486828500000/243957 | properties | ef:agent/enrich_references | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v7 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v8 |
| ef:activity/change/20260822T0600486828500000/243958 | skos_definition | ef:agent/enrich_references | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v8 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v9 |
| ef:activity/change/20260822T0600486828500000/243959 | references | ef:agent/enrich_references | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v9 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v10 |
| ef:activity/change/20260822T0600486828500000/253152 | properties | ef:agent/rdkit_pre_consensus | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v10 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v11 |
| ef:activity/change/20260822T0600486828500000/256740 | altLabel | ef:agent/chebi_altlabels | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v11 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v12 |
| ef:activity/change/20260822T0600486828500000/268976 | altLabel | ef:agent/consensus_match | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v12 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v13 |
| ef:activity/change/20260822T0600486828500000/268977 | cas_match_labels | ef:agent/consensus_match | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v13 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v14 |
| ef:activity/change/20260822T0600486828500000/278355 | properties | ef:agent/opsin_iupac | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v14 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v15 |
| ef:activity/change/20260822T0600486828500000/285112 | properties | ef:agent/rdkit_post_consensus | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v15 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v16 |
| ef:activity/change/20260822T0600486828500000/290866 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v16 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v17 |
| ef:activity/change/20260822T0600486828500000/331049 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v17 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v18 |
| ef:activity/change/20260822T0600486828500000/392719 | properties | ef:agent/normalise_property_values | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v18 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v19 |
| ef:activity/change/20260822T0600486828500000/401326 | types | ef:agent/link_flows_to_their_substance | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v19 | ef:flow/548d3651-b213-47df-b390-54c236d5dddc/v20 |