Phenethyl Isothiocyanate
Everything that changed this flow. Back to the flow
222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'JC 5411' (grade code), 'NSC 87868' (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=phenethylisothiocyanate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2257-09-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9716f8fa13d60b35: {'2257-09-2': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2257-09-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_351346']; candidate_pubchem_cids=[16741, 20559]; selected_pubchem_cids=[16741]; 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 |
|---|---|---|---|---|---|
| 13,783 | bootstrap_labels | prefLabel | — | [{"@value":"phenethyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 13,784 | bootstrap_labels | name | phenethyl isothiocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 16,127 | bootstrap_labels | synonyms | ["(2-Isothiocyanato-ethyl)-benzene","(2-Isothiocyanatoethyl)benzene",".beta.-Phenethyl isothiocyanate",".beta.-Phenylet… | [] | Removed legacy synonyms field in favor of structured labels |
| 59,414 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 59,415 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 217,893 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,286 | normalize_name_case | prefLabel | [{"@value":"phenethyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"Phenethyl Isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,238 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NS"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 240,239 | enrich_references | skos_definition | — | [{"@value":"An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound f… | Merged ChEBI/PubChem definitions into skos:definition |
| 240,240 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J41.504I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['2257-09-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_351346']; candidate_pubchem_cids=[16741, 20559]; selected_pubchem_cids=[16741]; 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 |
| 256,247 | chebi_altlabels | altLabel | [] | [{"@value":"(2-Isothiocyanatoethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,586 | consensus_match | altLabel | [{"@value":"(2-Isothiocyanatoethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | [{"@value":"(2-Isothiocyanatoethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | group_key=phenethylisothiocyanate||dimension=Environmental > media=Air > indoor=Unknown; cas=2257-09-2; added Common Chemistry CAS names as altLabel: 1-(2-Isothiocyanatoethyl)benzene, Benzene, (2-isothiocyanatoethyl)-, Isothiocyanic acid, phenethyl ester, JC 5411, NSC 87868, Phenylethyl mustard oil, β-Phenethyl isothiocyanate, β-Phenylethyl isothiocyanate; object_uuid=fo-9716f8fa13d60b35 |
| 270,587 | consensus_match | cas_match_labels | — | {"2257-09-2":"exactMatch"} | group_key=phenethylisothiocyanate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2257-09-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9716f8fa13d60b35: {'2257-09-2': 'exactMatch'} |
| 277,273 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NS"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phenethyl Isothiocyanate' |
| 283,941 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NS"],"… | rdkit_post_consensus from 'S=C=NCCc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,087 | strip_catalogue_altlabels | altLabel | [{"@value":"(2-Isothiocyanatoethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | [{"@value":"(2-Isothiocyanatoethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | Removed 2 catalogue altLabel value(s): 'JC 5411' (grade code), 'NSC 87868' (registry code) |
| 310,726 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/222837b2-fc9d-… | associations resolved on the elementary layer |
| 391,622 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NS"],"… | typed the way the ontology types it |
| 399,736 | 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/20260821T1554374006150000/13783 | prefLabel | ef:agent/bootstrap_labels | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v0 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v1 |
| ef:activity/change/20260821T1554374006150000/13784 | name | ef:agent/bootstrap_labels | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v1 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v2 |
| ef:activity/change/20260821T1554374006150000/16127 | synonyms | ef:agent/bootstrap_labels | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v2 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v3 |
| ef:activity/change/20260821T1554374006150000/59414 | context | ef:agent/default_context_mapping | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v3 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v4 |
| ef:activity/change/20260821T1554374006150000/59415 | context_iri | ef:agent/default_context_mapping | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v4 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v5 |
| ef:activity/change/20260821T1554374006150000/217893 | unit_iri | ef:agent/unit_normalization | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v5 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v6 |
| ef:activity/change/20260821T1554374006150000/224286 | prefLabel | ef:agent/normalize_name_case | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v6 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v7 |
| ef:activity/change/20260821T1554374006150000/240238 | properties | ef:agent/enrich_references | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v7 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v8 |
| ef:activity/change/20260821T1554374006150000/240239 | skos_definition | ef:agent/enrich_references | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v8 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v9 |
| ef:activity/change/20260821T1554374006150000/240240 | references | ef:agent/enrich_references | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v9 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v10 |
| ef:activity/change/20260821T1554374006150000/256247 | altLabel | ef:agent/chebi_altlabels | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v10 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v11 |
| ef:activity/change/20260821T1554374006150000/270586 | altLabel | ef:agent/consensus_match | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v11 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v12 |
| ef:activity/change/20260821T1554374006150000/270587 | cas_match_labels | ef:agent/consensus_match | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v12 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v13 |
| ef:activity/change/20260821T1554374006150000/277273 | properties | ef:agent/opsin_iupac | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v13 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v14 |
| ef:activity/change/20260821T1554374006150000/283941 | properties | ef:agent/rdkit_post_consensus | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v14 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v15 |
| ef:activity/change/20260821T1554374006150000/290087 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v15 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v16 |
| ef:activity/change/20260821T1554374006150000/310726 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v16 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v17 |
| ef:activity/change/20260821T1554374006150000/391622 | properties | ef:agent/normalise_property_values | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v17 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v18 |
| ef:activity/change/20260821T1554374006150000/399736 | types | ef:agent/link_flows_to_their_substance | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v18 | ef:flow/222837b2-fc9d-4bc4-8fe0-3c2868d3a4ce/v19 |