Hexan-2-ol
Everything that changed this flow. Back to the flow
34badff1-c934-45a9-a874-09381775fdb2
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 1 catalogue altLabel value(s): 'NSC 3706' (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=hexan-2-ol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'626-93-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-27d30711ab2ee873: {'626-93-7': '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 air > Emissions to air, unspecified |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['626-93-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_88370']; candidate_pubchem_cids=[12297, 638097]; selected_pubchem_cids=[12297]; 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 |
|---|---|---|---|---|---|
| 10,970 | bootstrap_labels | prefLabel | — | [{"@value":"hexan-2-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Bootstrapped prefLabel from legacy name field |
| 10,971 | bootstrap_labels | name | hexan-2-ol | — | Purged legacy name field to enforce prefLabel usage |
| 11,799 | bootstrap_labels | synonyms | ["(+/-)-2-Hexanol","(RS)-2-hexanol","1-Pentanol, methyl-","2-HEXANOL","2-Hexanol, (.+/-.)-","2-Hexanol, (R)-","2-Hexano… | [] | Removed legacy synonyms field in favor of structured labels |
| 71,980 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 71,981 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 216,977 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,653 | normalize_name_case | prefLabel | [{"@value":"hexan-2-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | [{"@value":"Hexan-2-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,620 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 237,621 | enrich_references | skos_definition | — | [{"@value":"A hexanol in which the hydroxy group is at position 2.","@language":"en","provenance":{"prov:wasGeneratedBy… | Merged ChEBI/PubChem definitions into skos:definition |
| 237,622 | enrich_references | references | [] | [{"@id":"agr:IND601242539","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['626-93-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_88370']; candidate_pubchem_cids=[12297, 638097]; selected_pubchem_cids=[12297]; 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 |
| 251,313 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O"],"… | rdkit_pre_consensus from 'CCCCC(C)O'; added: monoisotopic_mass |
| 255,923 | chebi_altlabels | altLabel | [] | [{"@value":"1-methyl-1-pentanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 267,679 | consensus_match | altLabel | [{"@value":"1-methyl-1-pentanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"1-methyl-1-pentanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | group_key=hexan-2-ol||dimension=Environmental > media=Air > indoor=Unknown; cas=626-93-7; added Common Chemistry CAS names as altLabel: (±)-1-Methyl-1-pentanol, (±)-2-Hexanol, <span class="text-smallcaps">DL</span>-Hexan-2-ol, NSC 3706; object_uuid=fo-27d30711ab2ee873 |
| 267,680 | consensus_match | cas_match_labels | — | {"626-93-7":"exactMatch"} | group_key=hexan-2-ol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'626-93-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-27d30711ab2ee873: {'626-93-7': 'exactMatch'} |
| 276,499 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Hexan-2-ol' |
| 283,107 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O"],"… | rdkit_post_consensus from 'CCCCC(C)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,535 | strip_catalogue_altlabels | altLabel | [{"@value":"1-methyl-1-pentanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"1-methyl-1-pentanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Removed 1 catalogue altLabel value(s): 'NSC 3706' (registry code) |
| 317,007 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/34badff1-c934-… | associations resolved on the elementary layer |
| 390,853 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O"],"… | typed the way the ontology types it |
| 398,645 | 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/20260822T0600486828500000/10970 | prefLabel | ef:agent/bootstrap_labels | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v0 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v1 |
| ef:activity/change/20260822T0600486828500000/10971 | name | ef:agent/bootstrap_labels | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v1 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v2 |
| ef:activity/change/20260822T0600486828500000/11799 | synonyms | ef:agent/bootstrap_labels | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v2 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v3 |
| ef:activity/change/20260822T0600486828500000/71980 | context | ef:agent/default_context_mapping | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v3 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v4 |
| ef:activity/change/20260822T0600486828500000/71981 | context_iri | ef:agent/default_context_mapping | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v4 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v5 |
| ef:activity/change/20260822T0600486828500000/216977 | unit_iri | ef:agent/unit_normalization | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v5 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v6 |
| ef:activity/change/20260822T0600486828500000/223653 | prefLabel | ef:agent/normalize_name_case | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v6 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v7 |
| ef:activity/change/20260822T0600486828500000/237620 | properties | ef:agent/enrich_references | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v7 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v8 |
| ef:activity/change/20260822T0600486828500000/237621 | skos_definition | ef:agent/enrich_references | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v8 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v9 |
| ef:activity/change/20260822T0600486828500000/237622 | references | ef:agent/enrich_references | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v9 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v10 |
| ef:activity/change/20260822T0600486828500000/251313 | properties | ef:agent/rdkit_pre_consensus | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v10 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v11 |
| ef:activity/change/20260822T0600486828500000/255923 | altLabel | ef:agent/chebi_altlabels | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v11 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v12 |
| ef:activity/change/20260822T0600486828500000/267679 | altLabel | ef:agent/consensus_match | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v12 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v13 |
| ef:activity/change/20260822T0600486828500000/267680 | cas_match_labels | ef:agent/consensus_match | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v13 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v14 |
| ef:activity/change/20260822T0600486828500000/276499 | properties | ef:agent/opsin_iupac | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v14 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v15 |
| ef:activity/change/20260822T0600486828500000/283107 | properties | ef:agent/rdkit_post_consensus | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v15 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v16 |
| ef:activity/change/20260822T0600486828500000/289535 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v16 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v17 |
| ef:activity/change/20260822T0600486828500000/317007 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v17 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v18 |
| ef:activity/change/20260822T0600486828500000/390853 | properties | ef:agent/normalise_property_values | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v18 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v19 |
| ef:activity/change/20260822T0600486828500000/398645 | types | ef:agent/link_flows_to_their_substance | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v19 | ef:flow/34badff1-c934-45a9-a874-09381775fdb2/v20 |