Pentyl Acetate
Everything that changed this flow. Back to the flow
1eaf61e8-f7b8-4633-bbf8-7e28d3da6720
By field
14 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 7923' (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=pentylacetate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'628-63-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff34c60749f12a44: {'628-63-7': '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 air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 211-047-3 from CAS 628-63-7 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['628-63-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_87362']; candidate_pubchem_cids=[12348]; selected_pubchem_cids=[12348]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,157 | bootstrap_labels | prefLabel | — | [{"@value":"pentyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 12,158 | bootstrap_labels | name | pentyl acetate | — | Purged legacy name field to enforce prefLabel usage |
| 12,159 | bootstrap_labels | synonyms | ["1-Pentanol acetate","1-Pentanol, acetate","1-Pentyl acetate","A0021","AC1L1ZEF","Acetate d'amyle","Acetic Acid Amyl E… | [] | Removed legacy synonyms field in favor of structured labels |
| 56,474 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 56,475 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 217,365 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,906 | normalize_name_case | prefLabel | [{"@value":"pentyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Pentyl Acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,953 | ec_cross_check | ec_numbers | [] | ["211-047-3"] | Resolved from EC-inventory: 211-047-3 from CAS 628-63-7 |
| 238,736 | 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) |
| 238,737 | enrich_references | skos_definition | — | [{"@value":"An acetate ester of pentanol.","@language":"en","provenance":{"prov:wasGeneratedBy":"enrich_references.cheb… | Merged ChEBI/PubChem definitions into skos:definition |
| 238,738 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.224F","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['628-63-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_87362']; candidate_pubchem_cids=[12348]; selected_pubchem_cids=[12348]; 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 |
| 256,051 | chebi_altlabels | altLabel | [] | [{"@value":"Amyl acetic ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,493 | consensus_match | altLabel | [{"@value":"Amyl acetic ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"Amyl acetic ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | group_key=pentylacetate||dimension=Environmental > media=Water > water_body=Long-term; cas=628-63-7; added Common Chemistry CAS names as altLabel: 1-Acetoxypentane, 1-Pentyl acetate, <em>n</em>-Amyl acetate, <em>n</em>-Amyl ethanoate, <em>n</em>-Pentyl acetate, <em>n</em>-Pentyl ethanoate, Acetic acid 1-pentyl ester, Acetic acid, amyl ester, Acetic acid, pentyl ester, Birnenoel, NSC 7923, Pentyl ethanoate, X-AR 600-54/6, ZED-N 50; object_uuid=fo-ff34c60749f12a44 |
| 270,494 | consensus_match | cas_match_labels | — | {"628-63-7":"exactMatch"} | group_key=pentylacetate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'628-63-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff34c60749f12a44: {'628-63-7': 'exactMatch'} |
| 276,817 | 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 'Pentyl Acetate' |
| 283,461 | 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 'CCCCCOC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,753 | strip_catalogue_altlabels | altLabel | [{"@value":"Amyl acetic ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"Amyl acetic ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Removed 1 catalogue altLabel value(s): 'NSC 7923' (registry code) |
| 309,264 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1eaf61e8-f7b8-… | associations resolved on the elementary layer |
| 391,176 | 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 |
| 399,098 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/12157 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v0 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v1 |
| ef:activity/change/20260822T0600486828500000/12158 | name | ef:agent/bootstrap_labels | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v1 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v2 |
| ef:activity/change/20260822T0600486828500000/12159 | synonyms | ef:agent/bootstrap_labels | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v2 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v3 |
| ef:activity/change/20260822T0600486828500000/56474 | context | ef:agent/default_context_mapping | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v3 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v4 |
| ef:activity/change/20260822T0600486828500000/56475 | context_iri | ef:agent/default_context_mapping | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v4 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v5 |
| ef:activity/change/20260822T0600486828500000/217365 | unit_iri | ef:agent/unit_normalization | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v5 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v6 |
| ef:activity/change/20260822T0600486828500000/223906 | prefLabel | ef:agent/normalize_name_case | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v6 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v7 |
| ef:activity/change/20260822T0600486828500000/226953 | ec_numbers | ef:agent/ec_cross_check | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v7 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v8 |
| ef:activity/change/20260822T0600486828500000/238736 | properties | ef:agent/enrich_references | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v8 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v9 |
| ef:activity/change/20260822T0600486828500000/238737 | skos_definition | ef:agent/enrich_references | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v9 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v10 |
| ef:activity/change/20260822T0600486828500000/238738 | references | ef:agent/enrich_references | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v10 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v11 |
| ef:activity/change/20260822T0600486828500000/256051 | altLabel | ef:agent/chebi_altlabels | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v11 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v12 |
| ef:activity/change/20260822T0600486828500000/270493 | altLabel | ef:agent/consensus_match | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v12 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v13 |
| ef:activity/change/20260822T0600486828500000/270494 | cas_match_labels | ef:agent/consensus_match | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v13 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v14 |
| ef:activity/change/20260822T0600486828500000/276817 | properties | ef:agent/opsin_iupac | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v14 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v15 |
| ef:activity/change/20260822T0600486828500000/283461 | properties | ef:agent/rdkit_post_consensus | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v15 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v16 |
| ef:activity/change/20260822T0600486828500000/289753 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v16 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v17 |
| ef:activity/change/20260822T0600486828500000/309264 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v17 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v18 |
| ef:activity/change/20260822T0600486828500000/391176 | properties | ef:agent/normalise_property_values | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v18 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v19 |
| ef:activity/change/20260822T0600486828500000/399098 | types | ef:agent/link_flows_to_their_substance | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v19 | ef:flow/1eaf61e8-f7b8-4633-bbf8-7e28d3da6720/v20 |