Methyl Octanoate
Everything that changed this flow. Back to the flow
cff898ad-10da-42d3-bf46-1630030be57e
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 4 catalogue altLabel value(s): 'NSC 3710' (registry code), 'Radia 7984' (trade name), 'Witconol 1095' (trade name), 'Witconol 2309' (trade name) |
| 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=methyloctanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-11-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-99cd8852b492dc96: {'111-11-5': '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 non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['111-11-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_87432']; candidate_pubchem_cids=[8091]; selected_pubchem_cids=[8091]; 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 |
|---|---|---|---|---|---|
| 10,445 | bootstrap_labels | prefLabel | — | [{"@value":"methyl octanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 10,446 | bootstrap_labels | name | methyl octanoate | — | Purged legacy name field to enforce prefLabel usage |
| 10,447 | bootstrap_labels | synonyms | ["organic","methyloctanoate","ce-895"] | [] | Removed legacy synonyms field in favor of structured labels |
| 172,962 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 172,963 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 216,806 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,538 | normalize_name_case | prefLabel | [{"@value":"methyl octanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Methyl Octanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,132 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 237,133 | enrich_references | skos_definition | — | [{"@value":"A fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with… | Merged ChEBI/PubChem definitions into skos:definition |
| 237,134 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.983F","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['111-11-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_87432']; candidate_pubchem_cids=[8091]; selected_pubchem_cids=[8091]; 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 |
| 255,860 | chebi_altlabels | altLabel | [] | [{"@value":"caprylic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,899 | consensus_match | altLabel | [{"@value":"caprylic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"caprylic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | group_key=methyloctanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=111-11-5; added Common Chemistry CAS names as altLabel: Agnique ME 890, Methyl <em>n</em>-octanoate, NSC 3710, Octanoic acid, methyl ester, Pastell M 08, Pastell M 8, Radia 7984, Uniphat A 20, Witconol 1095, Witconol 2309; object_uuid=fo-99cd8852b492dc96 |
| 268,900 | consensus_match | cas_match_labels | — | {"111-11-5":"exactMatch"} | group_key=methyloctanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-11-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-99cd8852b492dc96: {'111-11-5': 'exactMatch'} |
| 276,353 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl Octanoate' |
| 282,953 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | rdkit_post_consensus from 'CCCCCCCC(=O)OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,428 | strip_catalogue_altlabels | altLabel | [{"@value":"caprylic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"caprylic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Removed 4 catalogue altLabel value(s): 'NSC 3710' (registry code), 'Radia 7984' (trade name), 'Witconol 1095' (trade name), 'Witconol 2309' (trade name) |
| 367,505 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/cff898ad-10da-… | associations resolved on the elementary layer |
| 390,705 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | typed the way the ontology types it |
| 398,448 | 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/20260822T0600486828500000/10445 | prefLabel | ef:agent/bootstrap_labels | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v0 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v1 |
| ef:activity/change/20260822T0600486828500000/10446 | name | ef:agent/bootstrap_labels | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v1 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v2 |
| ef:activity/change/20260822T0600486828500000/10447 | synonyms | ef:agent/bootstrap_labels | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v2 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v3 |
| ef:activity/change/20260822T0600486828500000/172962 | context | ef:agent/default_context_mapping | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v3 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v4 |
| ef:activity/change/20260822T0600486828500000/172963 | context_iri | ef:agent/default_context_mapping | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v4 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v5 |
| ef:activity/change/20260822T0600486828500000/216806 | unit_iri | ef:agent/unit_normalization | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v5 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v6 |
| ef:activity/change/20260822T0600486828500000/223538 | prefLabel | ef:agent/normalize_name_case | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v6 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v7 |
| ef:activity/change/20260822T0600486828500000/237132 | properties | ef:agent/enrich_references | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v7 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v8 |
| ef:activity/change/20260822T0600486828500000/237133 | skos_definition | ef:agent/enrich_references | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v8 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v9 |
| ef:activity/change/20260822T0600486828500000/237134 | references | ef:agent/enrich_references | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v9 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v10 |
| ef:activity/change/20260822T0600486828500000/255860 | altLabel | ef:agent/chebi_altlabels | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v10 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v11 |
| ef:activity/change/20260822T0600486828500000/268899 | altLabel | ef:agent/consensus_match | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v11 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v12 |
| ef:activity/change/20260822T0600486828500000/268900 | cas_match_labels | ef:agent/consensus_match | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v12 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v13 |
| ef:activity/change/20260822T0600486828500000/276353 | properties | ef:agent/opsin_iupac | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v13 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v14 |
| ef:activity/change/20260822T0600486828500000/282953 | properties | ef:agent/rdkit_post_consensus | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v14 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v15 |
| ef:activity/change/20260822T0600486828500000/289428 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v15 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v16 |
| ef:activity/change/20260822T0600486828500000/367505 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v16 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v17 |
| ef:activity/change/20260822T0600486828500000/390705 | properties | ef:agent/normalise_property_values | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v17 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v18 |
| ef:activity/change/20260822T0600486828500000/398448 | types | ef:agent/link_flows_to_their_substance | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v18 | ef:flow/cff898ad-10da-42d3-bf46-1630030be57e/v19 |