Hexane
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-947c-0050c2490048
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 68472' (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=hexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-54-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f8258bfad402e744: {'110-54-3': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['110-54-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_29021']; candidate_pubchem_cids=[1133, 8058, 2773887]; selected_pubchem_cids=[8058]; 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 |
|---|---|---|---|---|---|
| 7,459 | bootstrap_labels | prefLabel | — | [{"@value":"hexane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consens… | Bootstrapped prefLabel from legacy name field |
| 7,460 | bootstrap_labels | name | hexane | — | Purged legacy name field to enforce prefLabel usage |
| 7,461 | bootstrap_labels | synonyms | ["(2r)-2-Hydroxy-3-(Phosphonooxy)propyl (9e)-Octadec-9-Enoate","AB1002550","AC1L1Q63","AKOS000269046","CH3-[CH2]4-CH3",… | [] | Removed legacy synonyms field in favor of structured labels |
| 34,286 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 34,287 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 215,829 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,826 | normalize_name_case | prefLabel | [{"@value":"hexane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consens… | [{"@value":"Hexane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consens… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 234,323 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 234,324 | enrich_references | skos_definition | — | [{"@value":"An unbranched alkane containing six carbon atoms.","@language":"en","provenance":{"prov:wasGeneratedBy":"en… | Merged ChEBI/PubChem definitions into skos:definition |
| 234,325 | enrich_references | references | [] | [{"@id":"gmelin:1985","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['110-54-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_29021']; candidate_pubchem_cids=[1133, 8058, 2773887]; selected_pubchem_cids=[8058]; 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 |
| 255,364 | chebi_altlabels | altLabel | [] | [{"@value":"CH3-[CH2]4-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 267,687 | consensus_match | altLabel | [{"@value":"CH3-[CH2]4-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"CH3-[CH2]4-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | group_key=hexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=110-54-3; added Common Chemistry CAS names as altLabel: NSC 68472, Skellysolve B; object_uuid=fo-f8258bfad402e744 |
| 267,688 | consensus_match | cas_match_labels | — | {"110-54-3":"exactMatch"} | group_key=hexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-54-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f8258bfad402e744: {'110-54-3': 'exactMatch'} |
| 275,533 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Hexane' |
| 282,054 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | rdkit_post_consensus from 'CCCCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,794 | strip_catalogue_altlabels | altLabel | [{"@value":"CH3-[CH2]4-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"CH3-[CH2]4-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Removed 1 catalogue altLabel value(s): 'NSC 68472' (registry code) |
| 298,177 | 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 |
| 389,844 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | typed the way the ontology types it |
| 397,192 | 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/20260822T0600486828500000/7459 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/7460 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/7461 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/34286 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/34287 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/215829 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/222826 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/234323 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/234324 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/234325 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/255364 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/267687 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/267688 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/275533 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/282054 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/288794 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/298177 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/389844 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/397192 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-947c-0050c2490048/v19 |