1-cyclohexene-1-carboxylic Acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, Ethyl Ester, (3r,4r,5s)-
Everything that changed this flow. Back to the flow
6c72993e-e008-403f-b524-9054ff883527
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 |
| 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=1-cyclohexene-1-carboxylicacid,4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-,ethylester,(3r,4r,5s)-||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'204255-06-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-282609b1bd471883: {'204255-06-1': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['204255-06-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[9967681, 53423532, 71313599]; selected_pubchem_cids=[9967681]; 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 |
|---|---|---|---|---|---|
| 11,729 | bootstrap_labels | prefLabel | — | [{"@value":"1-cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, ethyl ester, (3r,4r,5s)-","@l… | Bootstrapped prefLabel from legacy name field |
| 11,730 | bootstrap_labels | name | 1-cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, ethyl ester, (3r,4r,5s)- | — | Purged legacy name field to enforce prefLabel usage |
| 11,731 | bootstrap_labels | synonyms | ["organic","eec-azid"] | [] | Removed legacy synonyms field in favor of structured labels |
| 114,362 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 114,363 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 217,229 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,812 | normalize_name_case | prefLabel | [{"@value":"1-cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, ethyl ester, (3r,4r,5s)-","@l… | [{"@value":"1-cyclohexene-1-carboxylic Acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, Ethyl Ester, (3r,4r,5s)-","@l… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,347 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26N4O4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,348 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,349 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.622.180C","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['204255-06-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[9967681, 53423532, 71313599]; selected_pubchem_cids=[9967681]; 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 |
| 251,526 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26N4O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26N4O4… | rdkit_pre_consensus from 'CCC(CC)OC1C=C(CC(C1NC(=O)C)N=[N+]=[N-])C(=O)OCC'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 259,118 | consensus_match | altLabel | [] | [{"@value":"1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, ethyl ester, [3<em>R</em>-(3α… | group_key=1-cyclohexene-1-carboxylicacid,4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-,ethylester,(3r,4r,5s)-||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=204255-06-1; added Common Chemistry CAS names as altLabel: 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, ethyl ester, [3<em>R</em>-(3α,4β,5α)]-, Ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate; object_uuid=fo-282609b1bd471883 |
| 259,119 | consensus_match | cas_match_labels | — | {"204255-06-1":"exactMatch"} | group_key=1-cyclohexene-1-carboxylicacid,4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-,ethylester,(3r,4r,5s)-||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'204255-06-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-282609b1bd471883: {'204255-06-1': 'exactMatch'} |
| 276,708 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26N4O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26N4O4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-cyclohexene-1-carboxylic Acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, Ethyl Ester, (3r,4r,5s)-' |
| 283,334 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26N4O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26N4O4… | rdkit_post_consensus from 'CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N=[N+]=[N-])C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,584 | dedupe_altlabels | altLabel | [{"@value":"1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, ethyl ester, [3<em>R</em>-(3α… | [{"@value":"1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, ethyl ester, [3R-(3α,4β,5α)]-… | Deduplicated altLabel values and removed entries matching prefLabel |
| 338,173 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6c72993e-e008-… | associations resolved on the elementary layer |
| 391,057 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26N4O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26N4O4… | typed the way the ontology types it |
| 398,928 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 398,929 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26N4O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26N4O4… | 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/20260820T1812399309960000/11729 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v0 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v1 |
| ef:activity/change/20260820T1812399309960000/11730 | name | ef:agent/bootstrap_labels | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v1 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v2 |
| ef:activity/change/20260820T1812399309960000/11731 | synonyms | ef:agent/bootstrap_labels | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v2 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v3 |
| ef:activity/change/20260820T1812399309960000/114362 | context | ef:agent/default_context_mapping | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v3 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v4 |
| ef:activity/change/20260820T1812399309960000/114363 | context_iri | ef:agent/default_context_mapping | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v4 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v5 |
| ef:activity/change/20260820T1812399309960000/217229 | unit_iri | ef:agent/unit_normalization | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v5 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v6 |
| ef:activity/change/20260820T1812399309960000/223812 | prefLabel | ef:agent/normalize_name_case | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v6 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v7 |
| ef:activity/change/20260820T1812399309960000/238347 | properties | ef:agent/enrich_references | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v7 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v8 |
| ef:activity/change/20260820T1812399309960000/238348 | skos_definition | ef:agent/enrich_references | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v8 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v9 |
| ef:activity/change/20260820T1812399309960000/238349 | references | ef:agent/enrich_references | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v9 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v10 |
| ef:activity/change/20260820T1812399309960000/251526 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v10 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v11 |
| ef:activity/change/20260820T1812399309960000/259118 | altLabel | ef:agent/consensus_match | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v11 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v12 |
| ef:activity/change/20260820T1812399309960000/259119 | cas_match_labels | ef:agent/consensus_match | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v12 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v13 |
| ef:activity/change/20260820T1812399309960000/276708 | properties | ef:agent/opsin_iupac | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v13 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v14 |
| ef:activity/change/20260820T1812399309960000/283334 | properties | ef:agent/rdkit_post_consensus | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v14 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v15 |
| ef:activity/change/20260820T1812399309960000/292584 | altLabel | ef:agent/dedupe_altlabels | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v15 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v16 |
| ef:activity/change/20260820T1812399309960000/338173 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v16 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v17 |
| ef:activity/change/20260820T1812399309960000/391057 | properties | ef:agent/normalise_property_values | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v17 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v18 |
| ef:activity/change/20260820T1812399309960000/398928 | types | ef:agent/link_flows_to_their_substance | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v18 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v19 |
| ef:activity/change/20260820T1812399309960000/398929 | properties | ef:agent/link_flows_to_their_substance | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v19 | ef:flow/6c72993e-e008-403f-b524-9054ff883527/v20 |