3-methylbutyl 3-(4-methoxyphenyl)acrylate
Everything that changed this flow. Back to the flow
4c0181c6-fe00-416d-bc07-36f7477a9d3b
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'E 1000' (grade code), 'NSC 408332' (registry code), 'Neo Heliopan 1000' (trade name) |
| cas_match_labels | 1 | consensus_match | group_key=3-methylbutyl3-(4-methoxyphenyl)acrylate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'71617-10-2': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-458ddb5051168d4d: {'71617-10-2': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['71617-10-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_135982']; candidate_pubchem_cids=[92386, 1549789, 9837797]; selected_pubchem_cids=[]; 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 |
|---|---|---|---|---|---|
| 2,979 | bootstrap_labels | prefLabel | — | [{"@value":"3-methylbutyl 3-(4-methoxyphenyl)acrylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Bootstrapped prefLabel from legacy name field |
| 2,980 | bootstrap_labels | name | 3-methylbutyl 3-(4-methoxyphenyl)acrylate | — | Purged legacy name field to enforce prefLabel usage |
| 2,981 | bootstrap_labels | synonyms | ["organic","isopentylp-methoxycinnamate","neoheliopanâ®e1000","neoheliopanâ®galanga"] | [] | Removed legacy synonyms field in favor of structured labels |
| 86,296 | 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 |
| 86,297 | 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 |
| 214,333 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 230,042 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H20O3"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=0, commonchemistry_cas=['71617-10-2']) |
| 230,043 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,044 | enrich_references | references | [] | [{"@id":"drugcentral:4500","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['71617-10-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_135982']; candidate_pubchem_cids=[92386, 1549789, 9837797]; selected_pubchem_cids=[]; 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 |
| 249,142 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H20O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H20O3"]… | rdkit_pre_consensus from 'COc1ccc(C=CC(=O)OCCC(C)C)cc1'; added: monoisotopic_mass |
| 254,715 | chebi_altlabels | altLabel | [] | [{"@value":"isoamyl methoxycinnamate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,131 | consensus_match | altLabel | [{"@value":"isoamyl methoxycinnamate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"isoamyl methoxycinnamate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=3-methylbutyl3-(4-methoxyphenyl)acrylate||dimension=Environmental > media=Air > indoor=Unknown; cas=71617-10-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3-(4-methoxyphenyl)-, 3-methylbutyl ester, 3-Methylbutyl 3-(4-methoxyphenyl)prop-2-enoate, 4-Methoxycinnamic acid 2-isoamyl ester, 4-Methoxycinnamic acid isoamyl ester, 4-Methoxycinnamic acid isopentyl ester, Amiloxate, E 1000, Isoamyl 4-methoxycinnamate, Isoamyl <em>p</em>-methoxycinnamate, Isopentyl 4-methoxycinnamate, Isopentyl <em>p</em>-methoxycinnamate, NSC 408332, Neo Heliopan 1000, Neo Heliopan E 1000; object_uuid=fo-458ddb5051168d4d |
| 262,132 | consensus_match | cas_match_labels | — | {"71617-10-2":"exactMatch"} | group_key=3-methylbutyl3-(4-methoxyphenyl)acrylate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'71617-10-2': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-458ddb5051168d4d: {'71617-10-2': 'exactMatch'} |
| 274,258 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H20O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H20O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-methylbutyl 3-(4-methoxyphenyl)acrylate' |
| 280,687 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H20O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H20O3"]… | rdkit_post_consensus from 'COc1ccc(C=CC(=O)OCCC(C)C)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,838 | strip_catalogue_altlabels | altLabel | [{"@value":"isoamyl methoxycinnamate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"isoamyl methoxycinnamate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Removed 3 catalogue altLabel value(s): 'E 1000' (grade code), 'NSC 408332' (registry code), 'Neo Heliopan 1000' (trade name) |
| 324,164 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4c0181c6-fe00-… | associations resolved on the elementary layer |
| 388,554 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H20O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H20O3"]… | typed the way the ontology types it |
| 395,339 | 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/20260821T1302361922970000/2979 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v0 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v1 |
| ef:activity/change/20260821T1302361922970000/2980 | name | ef:agent/bootstrap_labels | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v1 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v2 |
| ef:activity/change/20260821T1302361922970000/2981 | synonyms | ef:agent/bootstrap_labels | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v2 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v3 |
| ef:activity/change/20260821T1302361922970000/86296 | context | ef:agent/default_context_mapping | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v3 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v4 |
| ef:activity/change/20260821T1302361922970000/86297 | context_iri | ef:agent/default_context_mapping | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v4 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v5 |
| ef:activity/change/20260821T1302361922970000/214333 | unit_iri | ef:agent/unit_normalization | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v5 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v6 |
| ef:activity/change/20260821T1302361922970000/230042 | properties | ef:agent/enrich_references | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v6 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v7 |
| ef:activity/change/20260821T1302361922970000/230043 | skos_definition | ef:agent/enrich_references | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v7 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v8 |
| ef:activity/change/20260821T1302361922970000/230044 | references | ef:agent/enrich_references | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v8 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v9 |
| ef:activity/change/20260821T1302361922970000/249142 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v9 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v10 |
| ef:activity/change/20260821T1302361922970000/254715 | altLabel | ef:agent/chebi_altlabels | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v10 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v11 |
| ef:activity/change/20260821T1302361922970000/262131 | altLabel | ef:agent/consensus_match | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v11 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v12 |
| ef:activity/change/20260821T1302361922970000/262132 | cas_match_labels | ef:agent/consensus_match | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v12 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v13 |
| ef:activity/change/20260821T1302361922970000/274258 | properties | ef:agent/opsin_iupac | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v13 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v14 |
| ef:activity/change/20260821T1302361922970000/280687 | properties | ef:agent/rdkit_post_consensus | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v14 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v15 |
| ef:activity/change/20260821T1302361922970000/287838 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v15 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v16 |
| ef:activity/change/20260821T1302361922970000/324164 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v16 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v17 |
| ef:activity/change/20260821T1302361922970000/388554 | properties | ef:agent/normalise_property_values | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v17 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v18 |
| ef:activity/change/20260821T1302361922970000/395339 | types | ef:agent/link_flows_to_their_substance | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v18 | ef:flow/4c0181c6-fe00-416d-bc07-36f7477a9d3b/v19 |