2,3-dimethylhexane
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-917a-0050c2490048
By field
14 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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 74170' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 209-547-1 from CAS 584-94-1 |
| 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=['584-94-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_173398']; candidate_pubchem_cids=[11447]; selected_pubchem_cids=[11447]; 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 |
|---|---|---|---|---|---|
| 6,996 | bootstrap_labels | prefLabel | — | [{"@value":"2,3-dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 6,997 | bootstrap_labels | name | 2,3-dimethylhexane | — | Purged legacy name field to enforce prefLabel usage |
| 6,998 | bootstrap_labels | synonyms | ["2,3-DIMETHYL HEXANE","AC1L1XDG","Hexane, 2,3-dimethyl-","Hexane, 2,3-dimethyl- (8CI)(9CI)"] | [] | Removed legacy synonyms field in favor of structured labels |
| 32,784 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 32,785 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 215,675 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,793 | ec_cross_check | ec_numbers | [] | ["209-547-1"] | Resolved from EC-inventory: 209-547-1 from CAS 584-94-1 |
| 233,888 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,889 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,890 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.423J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['584-94-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_173398']; candidate_pubchem_cids=[11447]; selected_pubchem_cids=[11447]; 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 |
| 250,251 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | rdkit_pre_consensus from 'CCCC(C)C(C)C'; added: monoisotopic_mass |
| 259,801 | consensus_match | altLabel | [] | [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d |
| 259,802 | consensus_match | cas_match_labels | — | {"584-94-1":"exactMatch"} | group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'} |
| 275,392 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,3-dimethylhexane' |
| 281,903 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | rdkit_post_consensus from 'CCCC(C)C(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,677 | strip_catalogue_altlabels | altLabel | [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | Removed 1 catalogue altLabel value(s): 'NSC 74170' (registry code) |
| 297,422 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 389,694 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | typed the way the ontology types it |
| 396,954 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T0609040591070000/6996 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v1 |
| ef:activity/change/20260821T0609040591070000/6997 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v2 |
| ef:activity/change/20260821T0609040591070000/6998 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v3 |
| ef:activity/change/20260821T0609040591070000/32784 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v4 |
| ef:activity/change/20260821T0609040591070000/32785 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v5 |
| ef:activity/change/20260821T0609040591070000/215675 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v6 |
| ef:activity/change/20260821T0609040591070000/226793 | ec_numbers | ef:agent/ec_cross_check | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v7 |
| ef:activity/change/20260821T0609040591070000/233888 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v8 |
| ef:activity/change/20260821T0609040591070000/233889 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v9 |
| ef:activity/change/20260821T0609040591070000/233890 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v10 |
| ef:activity/change/20260821T0609040591070000/250251 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v11 |
| ef:activity/change/20260821T0609040591070000/259801 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v12 |
| ef:activity/change/20260821T0609040591070000/259802 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v13 |
| ef:activity/change/20260821T0609040591070000/275392 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v14 |
| ef:activity/change/20260821T0609040591070000/281903 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v15 |
| ef:activity/change/20260821T0609040591070000/288677 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v16 |
| ef:activity/change/20260821T0609040591070000/297422 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v17 |
| ef:activity/change/20260821T0609040591070000/389694 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v18 |
| ef:activity/change/20260821T0609040591070000/396954 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-917a-0050c2490048/v19 |