3,3,5-trimethylcyclohexyl Salicylate
Everything that changed this flow. Back to the flow
fa64c53c-6e47-4dc4-8beb-684f3ef374f9
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 164918' (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=3,3,5-trimethylcyclohexylsalicylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'118-56-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ad7656dc378bef30: {'118-56-9': '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 air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['118-56-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_91642']; candidate_pubchem_cids=[8362, 6604222]; selected_pubchem_cids=[8362]; 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 |
|---|---|---|---|---|---|
| 844 | bootstrap_labels | prefLabel | — | [{"@value":"3,3,5-trimethylcyclohexyl salicylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 845 | bootstrap_labels | name | 3,3,5-trimethylcyclohexyl salicylate | — | Purged legacy name field to enforce prefLabel usage |
| 846 | bootstrap_labels | synonyms | ["organic","homosalate","homomenthylsalicylate","sunobelâ®hms"] | [] | Removed legacy synonyms field in favor of structured labels |
| 200,120 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 200,121 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 213,622 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,291 | normalize_name_case | prefLabel | [{"@value":"3,3,5-trimethylcyclohexyl salicylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"3,3,5-trimethylcyclohexyl Salicylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,988 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H22O3"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,989 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,990 | enrich_references | references | [] | [{"@id":"drugcentral:3279","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['118-56-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_91642']; candidate_pubchem_cids=[8362, 6604222]; selected_pubchem_cids=[8362]; 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 |
| 248,552 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H22O3"]… | rdkit_pre_consensus from 'CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O'; added: monoisotopic_mass |
| 254,496 | chebi_altlabels | altLabel | [] | [{"@value":"homomenthyl salicylate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,489 | consensus_match | altLabel | [{"@value":"homomenthyl salicylate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"homomenthyl salicylate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | group_key=3,3,5-trimethylcyclohexylsalicylate||dimension=Environmental > media=Water > water_body=Ocean; cas=118-56-9; added Common Chemistry CAS names as altLabel: 3,3,5-Trimethylcyclohexyl 2-hydroxybenzoate, Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester, Cyclohexanol, 3,3,5-trimethyl-, salicylate, Escalol HMS, Eusolex HMS, Filtrosol A, Heliopan, Heliopan HMS, Heliophan, Homosalate, Kemester HMS, NSC 164918, Neo Heliopan, Neo Heliopan HMS, Parsol HMS, Salicylic acid, 3,3,5-trimethylcyclohexyl ester, Uniderm Homsal; object_uuid=fo-ad7656dc378bef30 |
| 261,490 | consensus_match | cas_match_labels | — | {"118-56-9":"exactMatch"} | group_key=3,3,5-trimethylcyclohexylsalicylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'118-56-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ad7656dc378bef30: {'118-56-9': 'exactMatch'} |
| 273,692 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H22O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,3,5-trimethylcyclohexyl Salicylate' |
| 280,062 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H22O3"]… | rdkit_post_consensus from 'CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,447 | strip_catalogue_altlabels | altLabel | [{"@value":"homomenthyl salicylate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"homomenthyl salicylate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Removed 1 catalogue altLabel value(s): 'NSC 164918' (registry code) |
| 381,116 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fa64c53c-6e47-… | associations resolved on the elementary layer |
| 387,972 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H22O3"]… | typed the way the ontology types it |
| 394,526 | 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/20260820T1555490862250000/844 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v0 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v1 |
| ef:activity/change/20260820T1555490862250000/845 | name | ef:agent/bootstrap_labels | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v1 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v2 |
| ef:activity/change/20260820T1555490862250000/846 | synonyms | ef:agent/bootstrap_labels | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v2 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v3 |
| ef:activity/change/20260820T1555490862250000/200120 | context | ef:agent/default_context_mapping | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v3 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v4 |
| ef:activity/change/20260820T1555490862250000/200121 | context_iri | ef:agent/default_context_mapping | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v4 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v5 |
| ef:activity/change/20260820T1555490862250000/213622 | unit_iri | ef:agent/unit_normalization | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v5 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v6 |
| ef:activity/change/20260820T1555490862250000/221291 | prefLabel | ef:agent/normalize_name_case | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v6 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v7 |
| ef:activity/change/20260820T1555490862250000/227988 | properties | ef:agent/enrich_references | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v7 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v8 |
| ef:activity/change/20260820T1555490862250000/227989 | skos_definition | ef:agent/enrich_references | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v8 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v9 |
| ef:activity/change/20260820T1555490862250000/227990 | references | ef:agent/enrich_references | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v9 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v10 |
| ef:activity/change/20260820T1555490862250000/248552 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v10 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v11 |
| ef:activity/change/20260820T1555490862250000/254496 | altLabel | ef:agent/chebi_altlabels | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v11 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v12 |
| ef:activity/change/20260820T1555490862250000/261489 | altLabel | ef:agent/consensus_match | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v12 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v13 |
| ef:activity/change/20260820T1555490862250000/261490 | cas_match_labels | ef:agent/consensus_match | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v13 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v14 |
| ef:activity/change/20260820T1555490862250000/273692 | properties | ef:agent/opsin_iupac | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v14 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v15 |
| ef:activity/change/20260820T1555490862250000/280062 | properties | ef:agent/rdkit_post_consensus | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v15 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v16 |
| ef:activity/change/20260820T1555490862250000/287447 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v16 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v17 |
| ef:activity/change/20260820T1555490862250000/381116 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v17 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v18 |
| ef:activity/change/20260820T1555490862250000/387972 | properties | ef:agent/normalise_property_values | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v18 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v19 |
| ef:activity/change/20260820T1555490862250000/394526 | types | ef:agent/link_flows_to_their_substance | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v19 | ef:flow/fa64c53c-6e47-4dc4-8beb-684f3ef374f9/v20 |