1,7,7-trimethylbicyclo[2.2.1]hept-2-yl Thiocyanatoacetate
Everything that changed this flow. Back to the flow
123f0879-b41a-49e0-bad6-4b38c21700ca
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, link_flows_to_their_substance, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'ENT 92' (grade code), 'NSC 3552' (registry code), 'SX 850' (grade 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=1,7,7-trimethylbicyclo[2.2.1]hept-2-ylthiocyanatoacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'115-31-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ff165f2b589cd222: {'115-31-1': '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 soil > Emissions to 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 agricultural soil |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 204-081-5 from CAS 115-31-1 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['115-31-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[8267, 220601, 3246019, 13218779]; selected_pubchem_cids=[220601, 3246019, 13218779]; 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 |
|---|---|---|---|---|---|
| 13,625 | bootstrap_labels | prefLabel | — | [{"@value":"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl thiocyanatoacetate","@language":"en","source":{"prov:wasGeneratedBy"… | Bootstrapped prefLabel from legacy name field |
| 13,626 | bootstrap_labels | name | 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl thiocyanatoacetate | — | Purged legacy name field to enforce prefLabel usage |
| 13,627 | bootstrap_labels | synonyms | ["(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-thiocyanatoacetate","1,7,7-Trimethylbicyclo(2,2,1)hept-2-ylthiocyanatoac… | [] | Removed legacy synonyms field in favor of structured labels |
| 48,126 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 48,127 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 217,840 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,250 | normalize_name_case | prefLabel | [{"@value":"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl thiocyanatoacetate","@language":"en","source":{"prov:wasGeneratedBy"… | [{"@value":"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl Thiocyanatoacetate","@language":"en","source":{"prov:wasGeneratedBy"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,962 | ec_cross_check | ec_numbers | [] | ["204-081-5"] | Resolved from EC-inventory: 204-081-5 from CAS 115-31-1 |
| 240,089 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19NO2S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=3) |
| 240,090 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,091 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J195.371K","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['115-31-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[8267, 220601, 3246019, 13218779]; selected_pubchem_cids=[220601, 3246019, 13218779]; 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 |
| 252,030 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19NO2S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19NO2S… | rdkit_pre_consensus from 'CC1(C2CCC1(C(C2)OC(=O)CSC#N)C)C'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 258,760 | consensus_match | altLabel | [] | [{"@value":"Acetic acid, 2-thiocyanato-, (1<em>R</em>,2<em>R</em>,4<em>R</em>)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl e… | group_key=1,7,7-trimethylbicyclo[2.2.1]hept-2-ylthiocyanatoacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=115-31-1; added Common Chemistry CAS names as altLabel: Acetic acid, 2-thiocyanato-, (1<em>R</em>,2<em>R</em>,4<em>R</em>)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, <em>rel</em>-, Acetic acid, thiocyanato-, (1<em>R</em>,2<em>R</em>,4<em>R</em>)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, <em>rel</em>-, Acetic acid, thiocyanato-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, <em>exo</em>-, Acetic acid, thiocyanato-, isobornyl ester, Bornate, Cidalon, ENT 92, Isobornyl thiocyanatoacetate, Isobornyl thiocyanoacetate, NSC 3552, SX 850, Terpinyl thiocyanoacetate, Thanisol, Thanite, Thiocyanatoacetic acid isobornyl ester; object_uuid=fo-ff165f2b589cd222 |
| 258,761 | consensus_match | cas_match_labels | — | {"115-31-1":"exactMatch"} | group_key=1,7,7-trimethylbicyclo[2.2.1]hept-2-ylthiocyanatoacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'115-31-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ff165f2b589cd222: {'115-31-1': 'exactMatch'} |
| 283,889 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19NO2S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19NO2S… | rdkit_post_consensus from 'CC1(C2CCC1(C(C2)OC(=O)CSC#N)C)C'; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,043 | strip_catalogue_altlabels | altLabel | [{"@value":"Acetic acid, 2-thiocyanato-, (1<em>R</em>,2<em>R</em>,4<em>R</em>)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl e… | [{"@value":"Acetic acid, 2-thiocyanato-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-","@language":"en… | Removed 3 catalogue altLabel value(s): 'ENT 92' (grade code), 'NSC 3552' (registry code), 'SX 850' (grade code) |
| 305,083 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/123f0879-b41a-… | associations resolved on the elementary layer |
| 391,569 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19NO2S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19NO2S… | typed the way the ontology types it |
| 399,664 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 399,665 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19NO2S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19NO2S… | 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/20260820T1812399309960000/13625 | prefLabel | ef:agent/bootstrap_labels | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v0 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v1 |
| ef:activity/change/20260820T1812399309960000/13626 | name | ef:agent/bootstrap_labels | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v1 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v2 |
| ef:activity/change/20260820T1812399309960000/13627 | synonyms | ef:agent/bootstrap_labels | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v2 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v3 |
| ef:activity/change/20260820T1812399309960000/48126 | context | ef:agent/default_context_mapping | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v3 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v4 |
| ef:activity/change/20260820T1812399309960000/48127 | context_iri | ef:agent/default_context_mapping | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v4 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v5 |
| ef:activity/change/20260820T1812399309960000/217840 | unit_iri | ef:agent/unit_normalization | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v5 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v6 |
| ef:activity/change/20260820T1812399309960000/224250 | prefLabel | ef:agent/normalize_name_case | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v6 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v7 |
| ef:activity/change/20260820T1812399309960000/226962 | ec_numbers | ef:agent/ec_cross_check | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v7 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v8 |
| ef:activity/change/20260820T1812399309960000/240089 | properties | ef:agent/enrich_references | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v8 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v9 |
| ef:activity/change/20260820T1812399309960000/240090 | skos_definition | ef:agent/enrich_references | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v9 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v10 |
| ef:activity/change/20260820T1812399309960000/240091 | references | ef:agent/enrich_references | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v10 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v11 |
| ef:activity/change/20260820T1812399309960000/252030 | properties | ef:agent/rdkit_pre_consensus | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v11 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v12 |
| ef:activity/change/20260820T1812399309960000/258760 | altLabel | ef:agent/consensus_match | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v12 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v13 |
| ef:activity/change/20260820T1812399309960000/258761 | cas_match_labels | ef:agent/consensus_match | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v13 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v14 |
| ef:activity/change/20260820T1812399309960000/283889 | properties | ef:agent/rdkit_post_consensus | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v14 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v15 |
| ef:activity/change/20260820T1812399309960000/290043 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v15 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v16 |
| ef:activity/change/20260820T1812399309960000/305083 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v16 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v17 |
| ef:activity/change/20260820T1812399309960000/391569 | properties | ef:agent/normalise_property_values | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v17 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v18 |
| ef:activity/change/20260820T1812399309960000/399664 | types | ef:agent/link_flows_to_their_substance | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v18 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v19 |
| ef:activity/change/20260820T1812399309960000/399665 | properties | ef:agent/link_flows_to_their_substance | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v19 | ef:flow/123f0879-b41a-49e0-bad6-4b38c21700ca/v20 |