Ethyl Isothiocyanate
Everything that changed this flow. Back to the flow
dfda3d68-3cf9-4d6d-bce9-8f18590243e6
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 1 catalogue altLabel value(s): 'NSC 84212' (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=ethylisothiocyanate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'542-85-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9286c984c8119d81: {'542-85-8': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['542-85-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_85098']; candidate_pubchem_cids=[10966]; selected_pubchem_cids=[10966]; 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 |
|---|---|---|---|---|---|
| 23,315 | bootstrap_labels | prefLabel | — | [{"@value":"ethyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 23,316 | bootstrap_labels | name | ethyl isothiocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 23,317 | bootstrap_labels | synonyms | ["AB1002515","AC1L1WC2","AKOS000119775","BB_SC-6545","Ethane, isothiocyanato-","Ethyl mustard oil","Isothiocyanatoethan… | [] | Removed legacy synonyms field in favor of structured labels |
| 183,132 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 183,133 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 220,652 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,300 | normalize_name_case | prefLabel | [{"@value":"ethyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Ethyl Isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,870 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5NS"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,871 | enrich_references | skos_definition | — | [{"@value":"An isothiocyanate having an ethyl group attached to the nitrogen.","@language":"en","provenance":{"prov:was… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,872 | enrich_references | references | [] | [{"@id":"agr:IND44569343","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['542-85-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_85098']; candidate_pubchem_cids=[10966]; selected_pubchem_cids=[10966]; 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 |
| 257,304 | chebi_altlabels | altLabel | [] | [{"@value":"EITC","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,895 | consensus_match | altLabel | [{"@value":"EITC","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-… | [{"@value":"EITC","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-… | group_key=ethylisothiocyanate||dimension=Environmental > media=Ground > geography=Agricultural; cas=542-85-8; added Common Chemistry CAS names as altLabel: 1-Isothiocyanatoethane, Ethane, isothiocyanato-, Ethyl mustard oil, Ethyl thioisocyanate, NSC 84212; object_uuid=fo-9286c984c8119d81 |
| 266,896 | consensus_match | cas_match_labels | — | {"542-85-8":"exactMatch"} | group_key=ethylisothiocyanate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'542-85-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9286c984c8119d81: {'542-85-8': 'exactMatch'} |
| 279,522 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5NS"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethyl Isothiocyanate' |
| 286,402 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5NS"],"… | rdkit_post_consensus from 'CCN=C=S'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,730 | strip_catalogue_altlabels | altLabel | [{"@value":"EITC","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-… | [{"@value":"EITC","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-… | Removed 1 catalogue altLabel value(s): 'NSC 84212' (registry code) |
| 372,593 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/dfda3d68-3cf9-… | associations resolved on the elementary layer |
| 393,916 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5NS"],"… | typed the way the ontology types it |
| 403,179 | 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/20260822T0600486828500000/23315 | prefLabel | ef:agent/bootstrap_labels | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v0 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v1 |
| ef:activity/change/20260822T0600486828500000/23316 | name | ef:agent/bootstrap_labels | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v1 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v2 |
| ef:activity/change/20260822T0600486828500000/23317 | synonyms | ef:agent/bootstrap_labels | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v2 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v3 |
| ef:activity/change/20260822T0600486828500000/183132 | context | ef:agent/default_context_mapping | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v3 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v4 |
| ef:activity/change/20260822T0600486828500000/183133 | context_iri | ef:agent/default_context_mapping | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v4 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v5 |
| ef:activity/change/20260822T0600486828500000/220652 | unit_iri | ef:agent/unit_normalization | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v5 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v6 |
| ef:activity/change/20260822T0600486828500000/226300 | prefLabel | ef:agent/normalize_name_case | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v6 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v7 |
| ef:activity/change/20260822T0600486828500000/247870 | properties | ef:agent/enrich_references | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v7 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v8 |
| ef:activity/change/20260822T0600486828500000/247871 | skos_definition | ef:agent/enrich_references | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v8 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v9 |
| ef:activity/change/20260822T0600486828500000/247872 | references | ef:agent/enrich_references | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v9 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v10 |
| ef:activity/change/20260822T0600486828500000/257304 | altLabel | ef:agent/chebi_altlabels | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v10 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v11 |
| ef:activity/change/20260822T0600486828500000/266895 | altLabel | ef:agent/consensus_match | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v11 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v12 |
| ef:activity/change/20260822T0600486828500000/266896 | cas_match_labels | ef:agent/consensus_match | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v12 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v13 |
| ef:activity/change/20260822T0600486828500000/279522 | properties | ef:agent/opsin_iupac | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v13 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v14 |
| ef:activity/change/20260822T0600486828500000/286402 | properties | ef:agent/rdkit_post_consensus | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v14 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v15 |
| ef:activity/change/20260822T0600486828500000/291730 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v15 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v16 |
| ef:activity/change/20260822T0600486828500000/372593 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v16 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v17 |
| ef:activity/change/20260822T0600486828500000/393916 | properties | ef:agent/normalise_property_values | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v17 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v18 |
| ef:activity/change/20260822T0600486828500000/403179 | types | ef:agent/link_flows_to_their_substance | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v18 | ef:flow/dfda3d68-3cf9-4d6d-bce9-8f18590243e6/v19 |