3,7-dimethyloctan-3-ol
Everything that changed this flow. Back to the flow
65ab1d42-8873-47c7-b576-70ea08f2d2ed
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 1 catalogue altLabel value(s): 'NSC 128151' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=3,7-dimethyloctan-3-ol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'78-69-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a91027a009acdf9: {'78-69-3': '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 air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 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=['78-69-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_84242']; candidate_pubchem_cids=[6548, 126505, 6994762]; selected_pubchem_cids=[6548]; 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 |
|---|---|---|---|---|---|
| 12,390 | bootstrap_labels | prefLabel | — | [{"@value":"3,7-dimethyloctan-3-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 12,391 | bootstrap_labels | name | 3,7-dimethyloctan-3-ol | — | Purged legacy name field to enforce prefLabel usage |
| 12,392 | bootstrap_labels | synonyms | ["organic","3,7-dimethyloctan-3-ol","2,6-dimethyl-6-octanol","3-octanol,3,7-dimethyl-","3-octanol,3,7-dimethyl-(6ci,7ci… | [] | Removed legacy synonyms field in favor of structured labels |
| 110,328 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 110,329 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 217,439 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 238,949 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 238,950 | enrich_references | skos_definition | — | [{"@value":"A fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in… | Merged ChEBI/PubChem definitions into skos:definition |
| 238,951 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J354I","provenance":{"prov:wasGeneratedBy":"enrich_references.… | Added references with provenance; cas_numbers=['78-69-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_84242']; candidate_pubchem_cids=[6548, 126505, 6994762]; selected_pubchem_cids=[6548]; 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 |
| 251,699 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | rdkit_pre_consensus from 'CCC(C)(CCCC(C)C)O'; added: monoisotopic_mass |
| 256,081 | chebi_altlabels | altLabel | [] | [{"@value":"tetrahydrolinalool","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,695 | consensus_match | altLabel | [{"@value":"tetrahydrolinalool","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | [{"@value":"tetrahydrolinalool","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | group_key=3,7-dimethyloctan-3-ol||dimension=Environmental > media=Ground > geography=Unknown; cas=78-69-3; added Common Chemistry CAS names as altLabel: 2,6-Dimethyl-6-octanol, 3,7-Dimethyl-3-octanol, 3-Octanol, 3,7-dimethyl-, Linalool tetrahydride, NSC 128151; object_uuid=fo-2a91027a009acdf9 |
| 261,696 | consensus_match | cas_match_labels | — | {"78-69-3":"exactMatch"} | group_key=3,7-dimethyloctan-3-ol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'78-69-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a91027a009acdf9: {'78-69-3': 'exactMatch'} |
| 276,885 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,7-dimethyloctan-3-ol' |
| 283,531 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | rdkit_post_consensus from 'CCC(C)(O)CCCC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,808 | strip_catalogue_altlabels | altLabel | [{"@value":"tetrahydrolinalool","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | [{"@value":"tetrahydrolinalool","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | Removed 1 catalogue altLabel value(s): 'NSC 128151' (registry code) |
| 336,163 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/65ab1d42-8873-… | associations resolved on the elementary layer |
| 391,242 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | typed the way the ontology types it |
| 399,184 | 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/20260821T1554374006150000/12390 | prefLabel | ef:agent/bootstrap_labels | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v0 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v1 |
| ef:activity/change/20260821T1554374006150000/12391 | name | ef:agent/bootstrap_labels | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v1 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v2 |
| ef:activity/change/20260821T1554374006150000/12392 | synonyms | ef:agent/bootstrap_labels | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v2 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v3 |
| ef:activity/change/20260821T1554374006150000/110328 | context | ef:agent/default_context_mapping | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v3 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v4 |
| ef:activity/change/20260821T1554374006150000/110329 | context_iri | ef:agent/default_context_mapping | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v4 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v5 |
| ef:activity/change/20260821T1554374006150000/217439 | unit_iri | ef:agent/unit_normalization | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v5 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v6 |
| ef:activity/change/20260821T1554374006150000/238949 | properties | ef:agent/enrich_references | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v6 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v7 |
| ef:activity/change/20260821T1554374006150000/238950 | skos_definition | ef:agent/enrich_references | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v7 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v8 |
| ef:activity/change/20260821T1554374006150000/238951 | references | ef:agent/enrich_references | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v8 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v9 |
| ef:activity/change/20260821T1554374006150000/251699 | properties | ef:agent/rdkit_pre_consensus | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v9 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v10 |
| ef:activity/change/20260821T1554374006150000/256081 | altLabel | ef:agent/chebi_altlabels | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v10 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v11 |
| ef:activity/change/20260821T1554374006150000/261695 | altLabel | ef:agent/consensus_match | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v11 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v12 |
| ef:activity/change/20260821T1554374006150000/261696 | cas_match_labels | ef:agent/consensus_match | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v12 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v13 |
| ef:activity/change/20260821T1554374006150000/276885 | properties | ef:agent/opsin_iupac | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v13 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v14 |
| ef:activity/change/20260821T1554374006150000/283531 | properties | ef:agent/rdkit_post_consensus | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v14 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v15 |
| ef:activity/change/20260821T1554374006150000/289808 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v15 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v16 |
| ef:activity/change/20260821T1554374006150000/336163 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v16 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v17 |
| ef:activity/change/20260821T1554374006150000/391242 | properties | ef:agent/normalise_property_values | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v17 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v18 |
| ef:activity/change/20260821T1554374006150000/399184 | types | ef:agent/link_flows_to_their_substance | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v18 | ef:flow/65ab1d42-8873-47c7-b576-70ea08f2d2ed/v19 |