(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl (2r,5r)-5-hydroxy-1,3-oxathiolane-2-carboxylate
Everything that changed this flow. Back to the flow
cfdb6ccd-2e03-469d-96fe-b11668f9e54f
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 | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl(2r,5r)-5-hydroxy-1,3-oxathiolane-2-carboxylate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'147126-62-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1c85a11f62ecf936: {'147126-62-3': '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 air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 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=['147126-62-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[10176213, 15383324, 15383325, 21467920, 45039693, 45489978, 71771819, 86280164, 95171169, 95730865, 134694204]; selected_pubchem_cids=[15383325]; 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 |
|---|---|---|---|---|---|
| 14,438 | bootstrap_labels | prefLabel | — | [{"@value":"(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl (2r,5r)-5-hydroxy-1,3-oxathiolane-2-carboxylate","@language… | Bootstrapped prefLabel from legacy name field |
| 14,439 | bootstrap_labels | name | (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl (2r,5r)-5-hydroxy-1,3-oxathiolane-2-carboxylate | — | Purged legacy name field to enforce prefLabel usage |
| 14,440 | bootstrap_labels | synonyms | ["organic","1,3-oxathiolane-2-carboxylicacid,5-hydroxy-,(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexylester,(2r,5r)-ot… | [] | Removed legacy synonyms field in favor of structured labels |
| 172,876 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 172,877 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 218,110 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 240,855 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O4S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,856 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,857 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.246.487F","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['147126-62-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[10176213, 15383324, 15383325, 21467920, 45039693, 45489978, 71771819, 86280164, 95171169, 95730865, 134694204]; selected_pubchem_cids=[15383325]; 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 |
| 252,260 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O4S"… | rdkit_pre_consensus from 'CC1CCC(C(C1)OC(=O)C2OC(CS2)O)C(C)C'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 257,565 | consensus_match | altLabel | [] | [{"@value":"(1<em>R</em>,2<em>S</em>,5<em>R</em>)-2-Isopropyl-5-methylcyclohexyl (2<em>R</em>,5<em>R</em>)-5-hydroxy-1,… | group_key=(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl(2r,5r)-5-hydroxy-1,3-oxathiolane-2-carboxylate||dimension=Environmental > media=Air > strata=Unknown; cas=147126-62-3; added Common Chemistry CAS names as altLabel: (1<em>R</em>,2<em>S</em>,5<em>R</em>)-2-Isopropyl-5-methylcyclohexyl (2<em>R</em>,5<em>R</em>)-5-hydroxy-1,3-oxathiolane-2-carboxylate, (2<em>R</em>,5<em>R</em>)-((1<em>R</em>,2<em>S</em>,5<em>R</em>)-2-Isopropyl-5-methylcyclohexyl) 5-hydroxy-1,3-oxathiolane-2-carboxylate, 1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, (1<em>R</em>,2<em>S</em>,5<em>R</em>)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2<em>R</em>,5<em>R</em>)-, 1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1<em>R</em>-[1α(2<em>R</em>*,5<em>R</em>*),2β,5α]]-; object_uuid=fo-1c85a11f62ecf936 |
| 257,566 | consensus_match | cas_match_labels | — | {"147126-62-3":"exactMatch"} | group_key=(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl(2r,5r)-5-hydroxy-1,3-oxathiolane-2-carboxylate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'147126-62-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1c85a11f62ecf936: {'147126-62-3': 'exactMatch'} |
| 277,470 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O4S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl (2r,5r)-5-hydroxy-1,3-oxathiolane-2-carboxylate' |
| 284,154 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O4S"… | rdkit_post_consensus from 'CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1O[C@@H](O)CS1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,784 | dedupe_altlabels | altLabel | [{"@value":"(1<em>R</em>,2<em>S</em>,5<em>R</em>)-2-Isopropyl-5-methylcyclohexyl (2<em>R</em>,5<em>R</em>)-5-hydroxy-1,… | [{"@value":"(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate","@language":"en"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 367,482 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/cfdb6ccd-2e03-… | associations resolved on the elementary layer |
| 391,823 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O4S"… | typed the way the ontology types it |
| 400,020 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 400,021 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O4S"… | 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/20260820T0738569779880000/14438 | prefLabel | ef:agent/bootstrap_labels | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v0 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v1 |
| ef:activity/change/20260820T0738569779880000/14439 | name | ef:agent/bootstrap_labels | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v1 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v2 |
| ef:activity/change/20260820T0738569779880000/14440 | synonyms | ef:agent/bootstrap_labels | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v2 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v3 |
| ef:activity/change/20260820T0738569779880000/172876 | context | ef:agent/default_context_mapping | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v3 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v4 |
| ef:activity/change/20260820T0738569779880000/172877 | context_iri | ef:agent/default_context_mapping | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v4 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v5 |
| ef:activity/change/20260820T0738569779880000/218110 | unit_iri | ef:agent/unit_normalization | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v5 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v6 |
| ef:activity/change/20260820T0738569779880000/240855 | properties | ef:agent/enrich_references | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v6 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v7 |
| ef:activity/change/20260820T0738569779880000/240856 | skos_definition | ef:agent/enrich_references | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v7 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v8 |
| ef:activity/change/20260820T0738569779880000/240857 | references | ef:agent/enrich_references | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v8 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v9 |
| ef:activity/change/20260820T0738569779880000/252260 | properties | ef:agent/rdkit_pre_consensus | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v9 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v10 |
| ef:activity/change/20260820T0738569779880000/257565 | altLabel | ef:agent/consensus_match | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v10 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v11 |
| ef:activity/change/20260820T0738569779880000/257566 | cas_match_labels | ef:agent/consensus_match | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v11 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v12 |
| ef:activity/change/20260820T0738569779880000/277470 | properties | ef:agent/opsin_iupac | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v12 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v13 |
| ef:activity/change/20260820T0738569779880000/284154 | properties | ef:agent/rdkit_post_consensus | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v13 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v14 |
| ef:activity/change/20260820T0738569779880000/292784 | altLabel | ef:agent/dedupe_altlabels | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v14 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v15 |
| ef:activity/change/20260820T0738569779880000/367482 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v15 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v16 |
| ef:activity/change/20260820T0738569779880000/391823 | properties | ef:agent/normalise_property_values | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v16 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v17 |
| ef:activity/change/20260820T0738569779880000/400020 | types | ef:agent/link_flows_to_their_substance | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v17 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v18 |
| ef:activity/change/20260820T0738569779880000/400021 | properties | ef:agent/link_flows_to_their_substance | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v18 | ef:flow/cfdb6ccd-2e03-469d-96fe-b11668f9e54f/v19 |