Allyl 3-oxobutanoate
Everything that changed this flow. Back to the flow
7ebf6ea7-600d-4f47-8627-8e75a3d5c331
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 24280' (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=allyl3-oxobutanoate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1118-84-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f9bb8d2d212e182: {'1118-84-9': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1118-84-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[70701, 190564, 21863904, 22163761]; selected_pubchem_cids=[70701]; 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 |
|---|---|---|---|---|---|
| 4,212 | bootstrap_labels | prefLabel | — | [{"@value":"allyl 3-oxobutanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 4,213 | bootstrap_labels | name | allyl 3-oxobutanoate | — | Purged legacy name field to enforce prefLabel usage |
| 4,214 | bootstrap_labels | synonyms | ["organic","allylacetoacetate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 125,180 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 125,181 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 214,746 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,066 | normalize_name_case | prefLabel | [{"@value":"allyl 3-oxobutanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Allyl 3-oxobutanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,231 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,232 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,233 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J101.267C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['1118-84-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[70701, 190564, 21863904, 22163761]; selected_pubchem_cids=[70701]; 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 |
| 249,481 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | rdkit_pre_consensus from 'CC(=O)CC(=O)OCC=C'; added: molecular_mass, monoisotopic_mass |
| 263,660 | consensus_match | altLabel | [] | [{"@value":"3-Oxo-butyric acid allyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | group_key=allyl3-oxobutanoate||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=1118-84-9; added Common Chemistry CAS names as altLabel: 3-Oxo-butyric acid allyl ester, Acetoacetic acid, allyl ester, Allyl acetoacetate, Allyl acetylacetate, Butanoic acid, 3-oxo-, 2-propen-1-yl ester, Butanoic acid, 3-oxo-, 2-propenyl ester, NSC 24280; object_uuid=fo-5f9bb8d2d212e182 |
| 263,661 | consensus_match | cas_match_labels | — | {"1118-84-9":"exactMatch"} | group_key=allyl3-oxobutanoate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1118-84-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f9bb8d2d212e182: {'1118-84-9': 'exactMatch'} |
| 274,614 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Allyl 3-oxobutanoate' |
| 281,068 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | rdkit_post_consensus from 'C=CCOC(=O)CC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,112 | strip_catalogue_altlabels | altLabel | [{"@value":"3-Oxo-butyric acid allyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | [{"@value":"3-Oxo-butyric acid allyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | Removed 1 catalogue altLabel value(s): 'NSC 24280' (registry code) |
| 343,592 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7ebf6ea7-600d-… | associations resolved on the elementary layer |
| 388,921 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | typed the way the ontology types it |
| 395,857 | 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/20260821T1554374006150000/4212 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v0 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v1 |
| ef:activity/change/20260821T1554374006150000/4213 | name | ef:agent/bootstrap_labels | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v1 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v2 |
| ef:activity/change/20260821T1554374006150000/4214 | synonyms | ef:agent/bootstrap_labels | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v2 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v3 |
| ef:activity/change/20260821T1554374006150000/125180 | context | ef:agent/default_context_mapping | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v3 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v4 |
| ef:activity/change/20260821T1554374006150000/125181 | context_iri | ef:agent/default_context_mapping | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v4 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v5 |
| ef:activity/change/20260821T1554374006150000/214746 | unit_iri | ef:agent/unit_normalization | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v5 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v6 |
| ef:activity/change/20260821T1554374006150000/222066 | prefLabel | ef:agent/normalize_name_case | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v6 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v7 |
| ef:activity/change/20260821T1554374006150000/231231 | properties | ef:agent/enrich_references | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v7 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v8 |
| ef:activity/change/20260821T1554374006150000/231232 | skos_definition | ef:agent/enrich_references | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v8 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v9 |
| ef:activity/change/20260821T1554374006150000/231233 | references | ef:agent/enrich_references | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v9 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v10 |
| ef:activity/change/20260821T1554374006150000/249481 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v10 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v11 |
| ef:activity/change/20260821T1554374006150000/263660 | altLabel | ef:agent/consensus_match | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v11 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v12 |
| ef:activity/change/20260821T1554374006150000/263661 | cas_match_labels | ef:agent/consensus_match | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v12 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v13 |
| ef:activity/change/20260821T1554374006150000/274614 | properties | ef:agent/opsin_iupac | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v13 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v14 |
| ef:activity/change/20260821T1554374006150000/281068 | properties | ef:agent/rdkit_post_consensus | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v14 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v15 |
| ef:activity/change/20260821T1554374006150000/288112 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v15 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v16 |
| ef:activity/change/20260821T1554374006150000/343592 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v16 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v17 |
| ef:activity/change/20260821T1554374006150000/388921 | properties | ef:agent/normalise_property_values | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v17 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v18 |
| ef:activity/change/20260821T1554374006150000/395857 | types | ef:agent/link_flows_to_their_substance | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v18 | ef:flow/7ebf6ea7-600d-4f47-8627-8e75a3d5c331/v19 |