Isoamyl isobutyrate
Everything that changed this flow. Back to the flow
1f312451-6556-11dd-ad8b-0800200c9a66
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 | group_key=isopentylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; cas=2050-01-3; added Common Chemistry CAS names as altLabel: 3-Methyl-1-butyl isobutyrate, 3-Methylbutyl isobutyrate, Isoamyl isobutanoate, Isobutyric acid, isopentyl ester, Isopentyl alcohol, isobutyrate, Propanoic acid, 2-methyl-, 3-methylbutyl ester; object_uuid=fo-fb4ad54864030a31 |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=2050-01-3; cc_chebi_agreed_name='Isoamyl isobutyrate'; object_uuid=fo-fb4ad54864030a31 |
| cas_match_labels | 1 | consensus_match | group_key=isopentylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2050-01-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fb4ad54864030a31: {'2050-01-3': '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 water > Emissions to water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 218-078-1 from CAS 2050-01-3 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2050-01-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_87537']; candidate_pubchem_cids=[519786]; selected_pubchem_cids=[519786]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 7,634 | bootstrap_labels | prefLabel | — | [{"@value":"isopentyl isobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 7,635 | bootstrap_labels | name | isopentyl isobutyrate | — | Purged legacy name field to enforce prefLabel usage |
| 7,636 | bootstrap_labels | synonyms | ["3-Methylbutyl 2-methylpropanoate","AC1LAT2Q","I0676","I14-2592","Isoamyl isobutyrate","Isobutyric Acid Isoamyl Ester"… | [] | Removed legacy synonyms field in favor of structured labels |
| 57,158 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 57,159 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 215,888 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,874 | normalize_name_case | prefLabel | [{"@value":"isopentyl isobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Isopentyl Isobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,836 | ec_cross_check | ec_numbers | [] | ["218-078-1"] | Resolved from EC-inventory: 218-078-1 from CAS 2050-01-3 |
| 234,489 | 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) |
| 234,490 | enrich_references | skos_definition | — | [{"@value":"A fatty acid ester obtained by the formal condensation of isoamylol with isobutyric acid.","@language":"en"… | Merged ChEBI/PubChem definitions into skos:definition |
| 234,491 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.793K","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['2050-01-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_87537']; candidate_pubchem_cids=[519786]; selected_pubchem_cids=[519786]; 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 |
| 255,405 | chebi_altlabels | altLabel | [] | [{"@value":"3-methylbutyl 2-methylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,136 | consensus_match | prefLabel | [{"@value":"Isopentyl Isobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Isoamyl isobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributed… | cas=2050-01-3; cc_chebi_agreed_name='Isoamyl isobutyrate'; object_uuid=fo-fb4ad54864030a31 |
| 268,137 | consensus_match | altLabel | [{"@value":"3-methylbutyl 2-methylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"3-methylbutyl 2-methylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | cas=2050-01-3; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-fb4ad54864030a31 |
| 268,138 | consensus_match | altLabel | [{"@value":"3-methylbutyl 2-methylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"3-methylbutyl 2-methylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | group_key=isopentylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; cas=2050-01-3; added Common Chemistry CAS names as altLabel: 3-Methyl-1-butyl isobutyrate, 3-Methylbutyl isobutyrate, Isoamyl isobutanoate, Isobutyric acid, isopentyl ester, Isopentyl alcohol, isobutyrate, Propanoic acid, 2-methyl-, 3-methylbutyl ester; object_uuid=fo-fb4ad54864030a31 |
| 268,139 | consensus_match | cas_match_labels | — | {"2050-01-3":"exactMatch"} | group_key=isopentylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2050-01-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fb4ad54864030a31: {'2050-01-3': 'exactMatch'} |
| 275,581 | 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 'Isoamyl isobutyrate' |
| 282,110 | 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 'CC(C)CCOC(=O)C(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 309,606 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1f312451-6556-… | associations resolved on the elementary layer |
| 389,899 | 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 |
| 397,275 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260822T0600486828500000/7634 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v0 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260822T0600486828500000/7635 | name | ef:agent/bootstrap_labels | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v1 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260822T0600486828500000/7636 | synonyms | ef:agent/bootstrap_labels | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v2 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260822T0600486828500000/57158 | context | ef:agent/default_context_mapping | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v3 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260822T0600486828500000/57159 | context_iri | ef:agent/default_context_mapping | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v4 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260822T0600486828500000/215888 | unit_iri | ef:agent/unit_normalization | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v5 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260822T0600486828500000/222874 | prefLabel | ef:agent/normalize_name_case | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v6 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260822T0600486828500000/226836 | ec_numbers | ef:agent/ec_cross_check | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v7 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260822T0600486828500000/234489 | properties | ef:agent/enrich_references | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v8 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260822T0600486828500000/234490 | skos_definition | ef:agent/enrich_references | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v9 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260822T0600486828500000/234491 | references | ef:agent/enrich_references | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v10 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260822T0600486828500000/255405 | altLabel | ef:agent/chebi_altlabels | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v11 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260822T0600486828500000/268136 | prefLabel | ef:agent/consensus_match | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v12 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260822T0600486828500000/268137 | altLabel | ef:agent/consensus_match | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v13 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260822T0600486828500000/268138 | altLabel | ef:agent/consensus_match | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v14 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260822T0600486828500000/268139 | cas_match_labels | ef:agent/consensus_match | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v15 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260822T0600486828500000/275581 | properties | ef:agent/opsin_iupac | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v16 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260822T0600486828500000/282110 | properties | ef:agent/rdkit_post_consensus | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v17 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260822T0600486828500000/309606 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v18 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20260822T0600486828500000/389899 | properties | ef:agent/normalise_property_values | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v19 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v20 |
| ef:activity/change/20260822T0600486828500000/397275 | types | ef:agent/link_flows_to_their_substance | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v20 | ef:flow/1f312451-6556-11dd-ad8b-0800200c9a66/v21 |