Hexan-3-ol
Everything that changed this flow. Back to the flow
d391bfb3-884d-4730-93ae-77f3b9de1529
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): 'FEMA 3351' (grade code), 'NSC 60708' (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-3-ol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'623-37-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dfc69fcc83f11f2d: {'623-37-0': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['623-37-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_88653']; candidate_pubchem_cids=[12178, 638098]; selected_pubchem_cids=[12178]; 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 |
|---|---|---|---|---|---|
| 6,353 | bootstrap_labels | prefLabel | — | [{"@value":"hexan-3-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Bootstrapped prefLabel from legacy name field |
| 6,354 | bootstrap_labels | name | hexan-3-ol | — | Purged legacy name field to enforce prefLabel usage |
| 6,355 | bootstrap_labels | synonyms | ["3-HEXANOL","3-Hexyl alcohol","AC1L1Z0R","AC1Q2UNV","Ethyl propyl carbinol","Ethylpropylcarbinol","H0132","SBB061363",… | [] | Removed legacy synonyms field in favor of structured labels |
| 175,098 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 175,099 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 215,462 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,554 | normalize_name_case | prefLabel | [{"@value":"hexan-3-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | [{"@value":"Hexan-3-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) |
| 233,287 | 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) |
| 233,288 | enrich_references | skos_definition | — | [{"@value":"A hexanol in which the hydroxy group is at position 3.","@language":"en","provenance":{"prov:wasGeneratedBy… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,289 | enrich_references | references | [] | [{"@id":"agr:IND601328399","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['623-37-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_88653']; candidate_pubchem_cids=[12178, 638098]; selected_pubchem_cids=[12178]; 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 |
| 250,076 | 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 'CCCC(CC)O'; added: monoisotopic_mass |
| 255,165 | chebi_altlabels | altLabel | [] | [{"@value":"1-ethylbutanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 267,681 | consensus_match | altLabel | [{"@value":"1-ethylbutanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"1-ethylbutanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | group_key=hexan-3-ol||dimension=Environmental > media=Ground > geography=Agricultural; cas=623-37-0; added Common Chemistry CAS names as altLabel: (±)-3-Hexanol, 1-Ethyl-1-butanol, <span class="text-smallcaps">D</smallcap><smallcap>L</span>-3-Hexanol, NSC 60708; object_uuid=fo-dfc69fcc83f11f2d |
| 267,682 | consensus_match | cas_match_labels | — | {"623-37-0":"exactMatch"} | group_key=hexan-3-ol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'623-37-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dfc69fcc83f11f2d: {'623-37-0': 'exactMatch'} |
| 275,215 | 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-3-ol' |
| 281,715 | 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 'CCCC(O)CC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,549 | strip_catalogue_altlabels | altLabel | [{"@value":"1-ethylbutanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"1-ethylbutanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Removed 2 catalogue altLabel value(s): 'FEMA 3351' (grade code), 'NSC 60708' (registry code) |
| 368,573 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d391bfb3-884d-… | associations resolved on the elementary layer |
| 389,517 | 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 |
| 396,706 | 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/20260822T0600486828500000/6353 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v0 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v1 |
| ef:activity/change/20260822T0600486828500000/6354 | name | ef:agent/bootstrap_labels | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v1 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v2 |
| ef:activity/change/20260822T0600486828500000/6355 | synonyms | ef:agent/bootstrap_labels | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v2 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v3 |
| ef:activity/change/20260822T0600486828500000/175098 | context | ef:agent/default_context_mapping | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v3 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v4 |
| ef:activity/change/20260822T0600486828500000/175099 | context_iri | ef:agent/default_context_mapping | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v4 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v5 |
| ef:activity/change/20260822T0600486828500000/215462 | unit_iri | ef:agent/unit_normalization | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v5 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v6 |
| ef:activity/change/20260822T0600486828500000/222554 | prefLabel | ef:agent/normalize_name_case | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v6 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v7 |
| ef:activity/change/20260822T0600486828500000/233287 | properties | ef:agent/enrich_references | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v7 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v8 |
| ef:activity/change/20260822T0600486828500000/233288 | skos_definition | ef:agent/enrich_references | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v8 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v9 |
| ef:activity/change/20260822T0600486828500000/233289 | references | ef:agent/enrich_references | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v9 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v10 |
| ef:activity/change/20260822T0600486828500000/250076 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v10 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v11 |
| ef:activity/change/20260822T0600486828500000/255165 | altLabel | ef:agent/chebi_altlabels | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v11 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v12 |
| ef:activity/change/20260822T0600486828500000/267681 | altLabel | ef:agent/consensus_match | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v12 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v13 |
| ef:activity/change/20260822T0600486828500000/267682 | cas_match_labels | ef:agent/consensus_match | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v13 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v14 |
| ef:activity/change/20260822T0600486828500000/275215 | properties | ef:agent/opsin_iupac | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v14 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v15 |
| ef:activity/change/20260822T0600486828500000/281715 | properties | ef:agent/rdkit_post_consensus | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v15 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v16 |
| ef:activity/change/20260822T0600486828500000/288549 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v16 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v17 |
| ef:activity/change/20260822T0600486828500000/368573 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v17 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v18 |
| ef:activity/change/20260822T0600486828500000/389517 | properties | ef:agent/normalise_property_values | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v18 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v19 |
| ef:activity/change/20260822T0600486828500000/396706 | types | ef:agent/link_flows_to_their_substance | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v19 | ef:flow/d391bfb3-884d-4730-93ae-77f3b9de1529/v20 |