2-methylpentane-2,4-diol
Everything that changed this flow. Back to the flow
2534575e-80a1-48d8-b13b-1d5661b50381
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 8098' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-methylpentane-2,4-diol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-41-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ff05efb236c1121: {'107-41-5': '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=['107-41-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_62995']; candidate_pubchem_cids=[7870, 12374, 169017, 5058360, 5288845]; selected_pubchem_cids=[7870]; 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 |
|---|---|---|---|---|---|
| 16,425 | bootstrap_labels | prefLabel | — | [{"@value":"2-methylpentane-2,4-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 16,426 | bootstrap_labels | name | 2-methylpentane-2,4-diol | — | Purged legacy name field to enforce prefLabel usage |
| 16,427 | bootstrap_labels | synonyms | ["()-2-Methyl-2,4-pentanediol","(+-)-2-Methyl-2,4-pentanediol","(+/-)-2-Methyl-2,4-pentanediol",".alpha.,.alpha.,.alpha… | [] | Removed legacy synonyms field in favor of structured labels |
| 61,242 | 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 |
| 61,243 | 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 |
| 218,731 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,629 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,630 | enrich_references | skos_definition | — | [{"@value":"A glycol in which the two hydroxy groups are at positions 2 and 4 of 2-methylpentane (isopentane).","@langu… | Merged ChEBI/PubChem definitions into skos:definition |
| 242,631 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.614E","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['107-41-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_62995']; candidate_pubchem_cids=[7870, 12374, 169017, 5058360, 5288845]; selected_pubchem_cids=[7870]; 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 |
| 256,551 | chebi_altlabels | altLabel | [] | [{"@value":"1,1,3-Trimethyltrimethylenediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | Added 12 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,174 | consensus_match | altLabel | [{"@value":"1,1,3-Trimethyltrimethylenediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | [{"@value":"1,1,3-Trimethyltrimethylenediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | group_key=2-methylpentane-2,4-diol||dimension=Environmental > media=Water > water_body=Surface water; cas=107-41-5; added Common Chemistry CAS names as altLabel: (±)-2-Methyl-2,4-pentanediol, 2,4-Pentanediol, 2-methyl-, Diolane, Hexalene glycol, Hexasol, Isohexanediol, Isol, NSC 8098, α,α,α′-Trimethyltrimethylene glycol; object_uuid=fo-5ff05efb236c1121 |
| 261,175 | consensus_match | cas_match_labels | — | {"107-41-5":"exactMatch"} | group_key=2-methylpentane-2,4-diol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-41-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ff05efb236c1121: {'107-41-5': 'exactMatch'} |
| 277,975 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methylpentane-2,4-diol' |
| 284,698 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O2"],… | rdkit_post_consensus from 'CC(O)CC(C)(C)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,586 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,3-Trimethyltrimethylenediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | [{"@value":"1,1,3-Trimethyltrimethylenediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | Removed 1 catalogue altLabel value(s): 'NSC 8098' (registry code) |
| 311,640 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2534575e-80a1-… | associations resolved on the elementary layer |
| 392,328 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O2"],… | typed the way the ontology types it |
| 400,740 | 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/20260821T1302361922970000/16425 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v0 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v1 |
| ef:activity/change/20260821T1302361922970000/16426 | name | ef:agent/bootstrap_labels | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v1 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v2 |
| ef:activity/change/20260821T1302361922970000/16427 | synonyms | ef:agent/bootstrap_labels | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v2 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v3 |
| ef:activity/change/20260821T1302361922970000/61242 | context | ef:agent/default_context_mapping | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v3 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v4 |
| ef:activity/change/20260821T1302361922970000/61243 | context_iri | ef:agent/default_context_mapping | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v4 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v5 |
| ef:activity/change/20260821T1302361922970000/218731 | unit_iri | ef:agent/unit_normalization | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v5 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v6 |
| ef:activity/change/20260821T1302361922970000/242629 | properties | ef:agent/enrich_references | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v6 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v7 |
| ef:activity/change/20260821T1302361922970000/242630 | skos_definition | ef:agent/enrich_references | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v7 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v8 |
| ef:activity/change/20260821T1302361922970000/242631 | references | ef:agent/enrich_references | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v8 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v9 |
| ef:activity/change/20260821T1302361922970000/256551 | altLabel | ef:agent/chebi_altlabels | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v9 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v10 |
| ef:activity/change/20260821T1302361922970000/261174 | altLabel | ef:agent/consensus_match | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v10 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v11 |
| ef:activity/change/20260821T1302361922970000/261175 | cas_match_labels | ef:agent/consensus_match | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v11 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v12 |
| ef:activity/change/20260821T1302361922970000/277975 | properties | ef:agent/opsin_iupac | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v12 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v13 |
| ef:activity/change/20260821T1302361922970000/284698 | properties | ef:agent/rdkit_post_consensus | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v13 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v14 |
| ef:activity/change/20260821T1302361922970000/290586 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v14 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v15 |
| ef:activity/change/20260821T1302361922970000/311640 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v15 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v16 |
| ef:activity/change/20260821T1302361922970000/392328 | properties | ef:agent/normalise_property_values | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v16 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v17 |
| ef:activity/change/20260821T1302361922970000/400740 | types | ef:agent/link_flows_to_their_substance | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v17 | ef:flow/2534575e-80a1-48d8-b13b-1d5661b50381/v18 |