Allyl Hexanoate
Everything that changed this flow. Back to the flow
3076c3ee-56d8-4ec9-a074-d0add5665483
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 20962' (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=allylhexanoate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-68-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e3a1ee476bd6def9: {'123-68-2': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['123-68-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_171771']; candidate_pubchem_cids=[31266]; selected_pubchem_cids=[31266]; 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 |
|---|---|---|---|---|---|
| 4,476 | bootstrap_labels | prefLabel | — | [{"@value":"allyl hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 4,477 | bootstrap_labels | name | allyl hexanoate | — | Purged legacy name field to enforce prefLabel usage |
| 4,478 | bootstrap_labels | synonyms | ["organic","allylhexanoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 68,774 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 68,775 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 214,834 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,120 | normalize_name_case | prefLabel | [{"@value":"allyl hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Allyl Hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,483 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,484 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,485 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.964K","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['123-68-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_171771']; candidate_pubchem_cids=[31266]; selected_pubchem_cids=[31266]; 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 |
| 254,941 | chebi_altlabels | altLabel | [] | [{"@value":"prop-2-enyl hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,668 | consensus_match | altLabel | [{"@value":"prop-2-enyl hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"prop-2-enyl hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | group_key=allylhexanoate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=123-68-2; added Common Chemistry CAS names as altLabel: 2-Propenyl hexanoate, Allyl alcohol, hexanoate, Allyl caproate, Allyl capronate, Caproic acid allyl ester, Hexanoic acid, 2-propen-1-yl ester, Hexanoic acid, 2-propenyl ester, Hexanoic acid, allyl ester, NSC 20962; object_uuid=fo-e3a1ee476bd6def9 |
| 263,669 | consensus_match | cas_match_labels | — | {"123-68-2":"exactMatch"} | group_key=allylhexanoate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-68-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e3a1ee476bd6def9: {'123-68-2': 'exactMatch'} |
| 274,686 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Allyl Hexanoate' |
| 281,146 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | rdkit_post_consensus from 'C=CCOC(=O)CCCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,164 | strip_catalogue_altlabels | altLabel | [{"@value":"prop-2-enyl hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"prop-2-enyl hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 20962' (registry code) |
| 315,404 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3076c3ee-56d8-… | associations resolved on the elementary layer |
| 388,994 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | typed the way the ontology types it |
| 395,959 | 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/20260821T1554374006150000/4476 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v0 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v1 |
| ef:activity/change/20260821T1554374006150000/4477 | name | ef:agent/bootstrap_labels | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v1 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v2 |
| ef:activity/change/20260821T1554374006150000/4478 | synonyms | ef:agent/bootstrap_labels | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v2 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v3 |
| ef:activity/change/20260821T1554374006150000/68774 | context | ef:agent/default_context_mapping | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v3 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v4 |
| ef:activity/change/20260821T1554374006150000/68775 | context_iri | ef:agent/default_context_mapping | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v4 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v5 |
| ef:activity/change/20260821T1554374006150000/214834 | unit_iri | ef:agent/unit_normalization | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v5 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v6 |
| ef:activity/change/20260821T1554374006150000/222120 | prefLabel | ef:agent/normalize_name_case | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v6 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v7 |
| ef:activity/change/20260821T1554374006150000/231483 | properties | ef:agent/enrich_references | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v7 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v8 |
| ef:activity/change/20260821T1554374006150000/231484 | skos_definition | ef:agent/enrich_references | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v8 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v9 |
| ef:activity/change/20260821T1554374006150000/231485 | references | ef:agent/enrich_references | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v9 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v10 |
| ef:activity/change/20260821T1554374006150000/254941 | altLabel | ef:agent/chebi_altlabels | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v10 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v11 |
| ef:activity/change/20260821T1554374006150000/263668 | altLabel | ef:agent/consensus_match | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v11 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v12 |
| ef:activity/change/20260821T1554374006150000/263669 | cas_match_labels | ef:agent/consensus_match | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v12 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v13 |
| ef:activity/change/20260821T1554374006150000/274686 | properties | ef:agent/opsin_iupac | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v13 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v14 |
| ef:activity/change/20260821T1554374006150000/281146 | properties | ef:agent/rdkit_post_consensus | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v14 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v15 |
| ef:activity/change/20260821T1554374006150000/288164 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v15 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v16 |
| ef:activity/change/20260821T1554374006150000/315404 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v16 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v17 |
| ef:activity/change/20260821T1554374006150000/388994 | properties | ef:agent/normalise_property_values | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v17 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v18 |
| ef:activity/change/20260821T1554374006150000/395959 | types | ef:agent/link_flows_to_their_substance | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v18 | ef:flow/3076c3ee-56d8-4ec9-a074-d0add5665483/v19 |