(3r)- 3,7-dimethyloct-6-enal
Everything that changed this flow. Back to the flow
4867e221-fe8f-4893-b3c3-0d986d1661a6
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 3 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=(3r)-3,7-dimethyloct-6-enal||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory']; cas_sources={'2385-77-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7f2394c79f5837d5: {'2385-77-5': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 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=['2385-77-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_299']; candidate_pubchem_cids=[7794, 75427, 263799]; selected_pubchem_cids=[75427]; 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 |
|---|---|---|---|---|---|
| 17,044 | bootstrap_labels | prefLabel | — | [{"@value":"(3r)- 3,7-dimethyloct-6-enal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 17,045 | bootstrap_labels | name | (3r)- 3,7-dimethyloct-6-enal | — | Purged legacy name field to enforce prefLabel usage |
| 17,046 | bootstrap_labels | synonyms | ["organic","(r)-3,7-dimethyloct-6-enal","d-citronellal"] | [] | Removed legacy synonyms field in favor of structured labels |
| 84,306 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 84,307 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 218,935 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 243,189 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 243,190 | enrich_references | skos_definition | — | [{"@value":"The (3R)-stereoisomer of 3,7-dimethyloct-6-enal (citronellal).","@language":"en","provenance":{"prov:wasGen… | Merged ChEBI/PubChem definitions into skos:definition |
| 243,191 | enrich_references | references | [] | [{"@id":"beilstein:1720791","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['2385-77-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_299']; candidate_pubchem_cids=[7794, 75427, 263799]; selected_pubchem_cids=[75427]; 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 |
| 252,931 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | rdkit_pre_consensus from 'CC(CCC=C(C)C)CC=O'; added: inchi2d_string, monoisotopic_mass |
| 256,637 | chebi_altlabels | altLabel | [] | [{"@value":"(3R)-(+)-citronellal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 257,733 | consensus_match | altLabel | [{"@value":"(3R)-(+)-citronellal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"(3R)-(+)-citronellal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=(3r)-3,7-dimethyloct-6-enal||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=2385-77-5; added Common Chemistry CAS names as altLabel: (+)-Citronellal, (<em>R</em>)-Citronellal, 6-Octenal, 3,7-dimethyl-, (3<em>R</em>)-, 6-Octenal, 3,7-dimethyl-, (<em>R</em>)-, <em>d</em>-Citronellal, Citronellal CP; object_uuid=fo-7f2394c79f5837d5 |
| 257,734 | consensus_match | cas_match_labels | — | {"2385-77-5":"exactMatch"} | group_key=(3r)-3,7-dimethyloct-6-enal||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory']; cas_sources={'2385-77-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7f2394c79f5837d5: {'2385-77-5': 'exactMatch'} |
| 278,149 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(3r)- 3,7-dimethyloct-6-enal' |
| 284,887 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | rdkit_post_consensus from 'CC(C)=CCC[C@@H](C)CC=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,933 | dedupe_altlabels | altLabel | [{"@value":"(3R)-(+)-citronellal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"(3R)-(+)-citronellal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Deduplicated altLabel values and removed entries matching prefLabel |
| 323,187 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4867e221-fe8f-… | associations resolved on the elementary layer |
| 392,506 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | typed the way the ontology types it |
| 401,006 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 401,007 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | 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/20260820T0738569779880000/17044 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v0 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v1 |
| ef:activity/change/20260820T0738569779880000/17045 | name | ef:agent/bootstrap_labels | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v1 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v2 |
| ef:activity/change/20260820T0738569779880000/17046 | synonyms | ef:agent/bootstrap_labels | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v2 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v3 |
| ef:activity/change/20260820T0738569779880000/84306 | context | ef:agent/default_context_mapping | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v3 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v4 |
| ef:activity/change/20260820T0738569779880000/84307 | context_iri | ef:agent/default_context_mapping | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v4 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v5 |
| ef:activity/change/20260820T0738569779880000/218935 | unit_iri | ef:agent/unit_normalization | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v5 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v6 |
| ef:activity/change/20260820T0738569779880000/243189 | properties | ef:agent/enrich_references | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v6 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v7 |
| ef:activity/change/20260820T0738569779880000/243190 | skos_definition | ef:agent/enrich_references | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v7 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v8 |
| ef:activity/change/20260820T0738569779880000/243191 | references | ef:agent/enrich_references | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v8 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v9 |
| ef:activity/change/20260820T0738569779880000/252931 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v9 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v10 |
| ef:activity/change/20260820T0738569779880000/256637 | altLabel | ef:agent/chebi_altlabels | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v10 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v11 |
| ef:activity/change/20260820T0738569779880000/257733 | altLabel | ef:agent/consensus_match | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v11 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v12 |
| ef:activity/change/20260820T0738569779880000/257734 | cas_match_labels | ef:agent/consensus_match | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v12 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v13 |
| ef:activity/change/20260820T0738569779880000/278149 | properties | ef:agent/opsin_iupac | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v13 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v14 |
| ef:activity/change/20260820T0738569779880000/284887 | properties | ef:agent/rdkit_post_consensus | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v14 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v15 |
| ef:activity/change/20260820T0738569779880000/292933 | altLabel | ef:agent/dedupe_altlabels | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v15 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v16 |
| ef:activity/change/20260820T0738569779880000/323187 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v16 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v17 |
| ef:activity/change/20260820T0738569779880000/392506 | properties | ef:agent/normalise_property_values | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v17 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v18 |
| ef:activity/change/20260820T0738569779880000/401006 | types | ef:agent/link_flows_to_their_substance | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v18 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v19 |
| ef:activity/change/20260820T0738569779880000/401007 | properties | ef:agent/link_flows_to_their_substance | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v19 | ef:flow/4867e221-fe8f-4893-b3c3-0d986d1661a6/v20 |