Methyl Hexanoate
Everything that changed this flow. Back to the flow
adf078b1-57cf-4837-8229-b9f927c2f261
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 2 catalogue altLabel value(s): 'Agnique 610G' (trade name), 'NSC 5023' (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=methylhexanoate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'106-70-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a397a38beb296f84: {'106-70-7': '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 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=['106-70-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_77322']; candidate_pubchem_cids=[7824, 95652]; selected_pubchem_cids=[7824]; 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 |
|---|---|---|---|---|---|
| 12,550 | bootstrap_labels | prefLabel | — | [{"@value":"methyl hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 12,551 | bootstrap_labels | name | methyl hexanoate | — | Purged legacy name field to enforce prefLabel usage |
| 12,552 | bootstrap_labels | synonyms | ["organic","methylhexanoate","ce-685"] | [] | Removed legacy synonyms field in favor of structured labels |
| 153,318 | 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 |
| 153,319 | 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 |
| 217,492 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,001 | normalize_name_case | prefLabel | [{"@value":"methyl hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Methyl 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) |
| 239,101 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 239,102 | enrich_references | skos_definition | — | [{"@value":"A fatty acid methyl ester derived from hexanoic (caproic acid).","@language":"en","provenance":{"prov:wasGe… | Merged ChEBI/PubChem definitions into skos:definition |
| 239,103 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.566J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['106-70-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_77322']; candidate_pubchem_cids=[7824, 95652]; selected_pubchem_cids=[7824]; 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 |
| 256,105 | chebi_altlabels | altLabel | [] | [{"@value":"Caproic acid, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,848 | consensus_match | altLabel | [{"@value":"Caproic acid, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"Caproic acid, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | group_key=methylhexanoate||dimension=Environmental > media=Water > water_body=Surface water; cas=106-70-7; added Common Chemistry CAS names as altLabel: Agnique 610G, Caproic acid methyl ester, NSC 5023, Pastell M 6; object_uuid=fo-a397a38beb296f84 |
| 268,849 | consensus_match | cas_match_labels | — | {"106-70-7":"exactMatch"} | group_key=methylhexanoate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'106-70-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a397a38beb296f84: {'106-70-7': 'exactMatch'} |
| 276,930 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl Hexanoate' |
| 283,579 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | rdkit_post_consensus from 'CCCCCC(=O)OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,844 | strip_catalogue_altlabels | altLabel | [{"@value":"Caproic acid, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"Caproic acid, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Removed 2 catalogue altLabel value(s): 'Agnique 610G' (trade name), 'NSC 5023' (registry code) |
| 357,682 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/adf078b1-57cf-… | associations resolved on the elementary layer |
| 391,287 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | typed the way the ontology types it |
| 399,254 | 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/20260822T0600486828500000/12550 | prefLabel | ef:agent/bootstrap_labels | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v0 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v1 |
| ef:activity/change/20260822T0600486828500000/12551 | name | ef:agent/bootstrap_labels | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v1 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v2 |
| ef:activity/change/20260822T0600486828500000/12552 | synonyms | ef:agent/bootstrap_labels | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v2 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v3 |
| ef:activity/change/20260822T0600486828500000/153318 | context | ef:agent/default_context_mapping | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v3 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v4 |
| ef:activity/change/20260822T0600486828500000/153319 | context_iri | ef:agent/default_context_mapping | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v4 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v5 |
| ef:activity/change/20260822T0600486828500000/217492 | unit_iri | ef:agent/unit_normalization | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v5 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v6 |
| ef:activity/change/20260822T0600486828500000/224001 | prefLabel | ef:agent/normalize_name_case | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v6 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v7 |
| ef:activity/change/20260822T0600486828500000/239101 | properties | ef:agent/enrich_references | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v7 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v8 |
| ef:activity/change/20260822T0600486828500000/239102 | skos_definition | ef:agent/enrich_references | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v8 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v9 |
| ef:activity/change/20260822T0600486828500000/239103 | references | ef:agent/enrich_references | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v9 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v10 |
| ef:activity/change/20260822T0600486828500000/256105 | altLabel | ef:agent/chebi_altlabels | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v10 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v11 |
| ef:activity/change/20260822T0600486828500000/268848 | altLabel | ef:agent/consensus_match | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v11 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v12 |
| ef:activity/change/20260822T0600486828500000/268849 | cas_match_labels | ef:agent/consensus_match | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v12 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v13 |
| ef:activity/change/20260822T0600486828500000/276930 | properties | ef:agent/opsin_iupac | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v13 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v14 |
| ef:activity/change/20260822T0600486828500000/283579 | properties | ef:agent/rdkit_post_consensus | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v14 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v15 |
| ef:activity/change/20260822T0600486828500000/289844 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v15 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v16 |
| ef:activity/change/20260822T0600486828500000/357682 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v16 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v17 |
| ef:activity/change/20260822T0600486828500000/391287 | properties | ef:agent/normalise_property_values | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v17 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v18 |
| ef:activity/change/20260822T0600486828500000/399254 | types | ef:agent/link_flows_to_their_substance | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v18 | ef:flow/adf078b1-57cf-4837-8229-b9f927c2f261/v19 |