Vanillin
Everything that changed this flow. Back to the flow
c321e0ab-3bb9-4947-b1ce-dc51955e2665
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 5 catalogue altLabel value(s): 'H 0264' (grade code), 'NPLC 0145' (grade code), 'NSC 15351' (registry code), 'NSC 403658' (registry code), 'NSC 48383' (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=vanillin||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'121-33-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-11db75812b52f1e6: {'121-33-5': '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 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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['121-33-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18346']; candidate_pubchem_cids=[867, 1183, 19889280]; selected_pubchem_cids=[1183]; 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 |
|---|---|---|---|---|---|
| 1,671 | bootstrap_labels | prefLabel | — | [{"@value":"vanillin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Bootstrapped prefLabel from legacy name field |
| 1,672 | bootstrap_labels | name | vanillin | — | Purged legacy name field to enforce prefLabel usage |
| 1,673 | bootstrap_labels | synonyms | ["2-Methoxy-4-formylphenol","3-Methoxy-4-hydroxybenzaldehyde","4-Formyl-2-methoxyphenol","4-HYDROXY,3-METHOXY-BENZALDEH… | [] | Removed legacy synonyms field in favor of structured labels |
| 165,308 | 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 |
| 165,309 | 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 |
| 213,895 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,480 | normalize_name_case | prefLabel | [{"@value":"vanillin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | [{"@value":"Vanillin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,787 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O3"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,788 | enrich_references | skos_definition | — | [{"@value":"A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respe… | Merged ChEBI/PubChem definitions into skos:definition |
| 228,789 | enrich_references | references | [] | [{"@id":"beilstein:472792","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['121-33-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18346']; candidate_pubchem_cids=[867, 1183, 19889280]; selected_pubchem_cids=[1183]; 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 |
| 248,781 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O3"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O3"],"… | rdkit_pre_consensus from 'COC1=C(C=CC(=C1)C=O)O'; added: monoisotopic_mass |
| 254,572 | chebi_altlabels | altLabel | [] | [{"@value":"3-methoxy-4-hydroxybenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | Added 13 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 273,231 | consensus_match | altLabel | [{"@value":"3-methoxy-4-hydroxybenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | [{"@value":"3-methoxy-4-hydroxybenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | group_key=vanillin||dimension=Environmental > media=Air > strata=Long-term; cas=121-33-5; added Common Chemistry CAS names as altLabel: 2-Methoxy-4-formylphenol, 4-Hydroxy-3-methoxy-benzyldehyde, 4-Hydroxy-5-methoxybenzaldehyde, <em>m</em>-Methoxy-<em>p</em>-hydroxybenzaldehyde, Benzaldehyde, 4-hydroxy-3-methoxy-, H 0264, Lioxin, NPLC 0145, NSC 15351, NSC 403658, NSC 48383, Rhovanil, Vanillum, W 310700-1KG; object_uuid=fo-11db75812b52f1e6 |
| 273,232 | consensus_match | cas_match_labels | — | {"121-33-5":"exactMatch"} | group_key=vanillin||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'121-33-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-11db75812b52f1e6: {'121-33-5': 'exactMatch'} |
| 273,902 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O3"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O3"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Vanillin' |
| 280,297 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O3"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O3"],"… | rdkit_post_consensus from 'COc1cc(C=O)ccc1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,587 | strip_catalogue_altlabels | altLabel | [{"@value":"3-methoxy-4-hydroxybenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | [{"@value":"3-methoxy-4-hydroxybenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | Removed 5 catalogue altLabel value(s): 'H 0264' (grade code), 'NPLC 0145' (grade code), 'NSC 15351' (registry code), 'NSC 403658' (registry code), 'NSC 48383' (registry code) |
| 363,680 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c321e0ab-3bb9-… | associations resolved on the elementary layer |
| 388,192 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O3"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O3"],"… | typed the way the ontology types it |
| 394,821 | 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/20260821T1302361922970000/1671 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v0 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v1 |
| ef:activity/change/20260821T1302361922970000/1672 | name | ef:agent/bootstrap_labels | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v1 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v2 |
| ef:activity/change/20260821T1302361922970000/1673 | synonyms | ef:agent/bootstrap_labels | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v2 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v3 |
| ef:activity/change/20260821T1302361922970000/165308 | context | ef:agent/default_context_mapping | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v3 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v4 |
| ef:activity/change/20260821T1302361922970000/165309 | context_iri | ef:agent/default_context_mapping | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v4 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v5 |
| ef:activity/change/20260821T1302361922970000/213895 | unit_iri | ef:agent/unit_normalization | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v5 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v6 |
| ef:activity/change/20260821T1302361922970000/221480 | prefLabel | ef:agent/normalize_name_case | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v6 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v7 |
| ef:activity/change/20260821T1302361922970000/228787 | properties | ef:agent/enrich_references | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v7 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v8 |
| ef:activity/change/20260821T1302361922970000/228788 | skos_definition | ef:agent/enrich_references | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v8 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v9 |
| ef:activity/change/20260821T1302361922970000/228789 | references | ef:agent/enrich_references | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v9 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v10 |
| ef:activity/change/20260821T1302361922970000/248781 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v10 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v11 |
| ef:activity/change/20260821T1302361922970000/254572 | altLabel | ef:agent/chebi_altlabels | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v11 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v12 |
| ef:activity/change/20260821T1302361922970000/273231 | altLabel | ef:agent/consensus_match | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v12 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v13 |
| ef:activity/change/20260821T1302361922970000/273232 | cas_match_labels | ef:agent/consensus_match | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v13 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v14 |
| ef:activity/change/20260821T1302361922970000/273902 | properties | ef:agent/opsin_iupac | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v14 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v15 |
| ef:activity/change/20260821T1302361922970000/280297 | properties | ef:agent/rdkit_post_consensus | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v15 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v16 |
| ef:activity/change/20260821T1302361922970000/287587 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v16 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v17 |
| ef:activity/change/20260821T1302361922970000/363680 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v17 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v18 |
| ef:activity/change/20260821T1302361922970000/388192 | properties | ef:agent/normalise_property_values | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v18 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v19 |
| ef:activity/change/20260821T1302361922970000/394821 | types | ef:agent/link_flows_to_their_substance | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v19 | ef:flow/c321e0ab-3bb9-4947-b1ce-dc51955e2665/v20 |